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1-Oxo-2-phenyl-5-(pyrrolidin-1-yl)-3-[(1-pyrrolidinylmethyl)-amino]-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile

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1-Oxo-2-phenyl-5-(pyrrolidin-1-yl)-3-[(1-pyrrolidinylmethyl)-amino]-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile
SpectraBase Compound ID ACzNFJk9DSs
InChI InChI=1S/C25H34N6O/c26-18-21-23-22(29-15-8-9-16-29)12-4-5-17-30(23)25(32)31(20-10-2-1-3-11-20)24(21)27-19-28-13-6-7-14-28/h1-3,10-11,22-23,27H,4-9,12-17,19H2
InChIKey QCFPHRWEYJTIDI-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C25H34N6O
Exact Mass 434.27941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CuMQeThvj2o
Name 1-Oxo-2-phenyl-5-(pyrrolidin-1-yl)-3-[(1-pyrrolidinylmethyl)-amino]-1,2,4a,5,6,7,8,9-octahydropyrimido[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 C25H34N6O
InChI InChI=1S/C25H34N6O/c26-18-21-23-22(29-15-8-9-16-29)12-4-5-17-30(23)25(32)31(20-10-2-1-3-11-20)24(21)27-19-28-13-6-7-14-28/h1-3,10-11,22-23,27H,4-9,12-17,19H2
InChIKey QCFPHRWEYJTIDI-UHFFFAOYSA-N
Molecular Weight 434.588 g/mol
SMILES N(C=1N(C(=O)N2C(C1C#N)C(N1CCCC1)CCCC2)c1ccccc1)CN1CCCC1
SPLASH splash10-0002-0900300000-3a25727ef2f87cfb000c
Source of Spectrum F2-45-3150-5a
Synonyms 1-oxo-2-phenyl-5-(1-pyrrolidinyl)-3-(1-pyrrolidinylmethylamino)-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepine-4-carbonitrile 1-oxo-2-phenyl-5-pyrrolidin-1-yl-3-(pyrrolidin-1-ylmethylamino)-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepine-4-carbonitrile 1-oxidanylidene-2-phenyl-5-pyrrolidin-1-yl-3-(pyrrolidin-1-ylmethylamino)-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepine-4-carbonitrile
Wiley ID 1689218