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1-Oxo-3-[(2-oxo-2-(pyrrolidin-1-yl)ethyl)amino]-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydro-pyrimido[1,6-a]azepine-4-carbonitrile

View entire compound with spectra: 1 MS (GC)

1-Oxo-3-[(2-oxo-2-(pyrrolidin-1-yl)ethyl)amino]-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydro-pyrimido[1,6-a]azepine-4-carbonitrile
SpectraBase Compound ID 32J1Sl6bQvd
InChI InChI=1S/C26H34N6O2/c27-18-21-24-22(29-13-6-7-14-29)12-4-5-17-31(24)26(34)32(20-10-2-1-3-11-20)25(21)28-19-23(33)30-15-8-9-16-30/h1-3,10-11,22,24,28H,4-9,12-17,19H2
InChIKey PJSRJTNKLLUESB-UHFFFAOYSA-N
Mol Weight 462.6 g/mol
Molecular Formula C26H34N6O2
Exact Mass 462.274324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lp3vDUp892y
Name 1-Oxo-3-[(2-oxo-2-(pyrrolidin-1-yl)ethyl)amino]-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydro-pyrimido[1,6-a]azepine-4-carbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34N6O2
InChI InChI=1S/C26H34N6O2/c27-18-21-24-22(29-13-6-7-14-29)12-4-5-17-31(24)26(34)32(20-10-2-1-3-11-20)25(21)28-19-23(33)30-15-8-9-16-30/h1-3,10-11,22,24,28H,4-9,12-17,19H2
InChIKey PJSRJTNKLLUESB-UHFFFAOYSA-N
Molecular Weight 462.598 g/mol
SMILES N(C=1N(C(N2C(C(N3CCCC3)CCCC2)C1C#N)=O)c1ccccc1)CC(N1CCCC1)=O
SPLASH splash10-0002-0900300000-63a4b95a1f8d9d44aa27
Source of Spectrum F2-45-3152-10a
Synonyms 1-oxo-3-[[2-oxo-2-(1-pyrrolidinyl)ethyl]amino]-2-phenyl-5-(1-pyrrolidinyl)-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepine-4-carbonitrile 1-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepine-4-carbonitrile 1-oxo-3-[(2-oxo-2-pyrrolidin-1-yl-ethyl)amino]-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepine-4-carbonitrile 1-oxidanylidene-3-[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)amino]-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepine-4-carbonitrile
Wiley ID 1689214