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N-(4-Cyano-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepin-3-yl)-N-phenylformamidine
SpectraBase Compound ID 1kVyymRDoQW
InChI InChI=1S/C27H30N6O/c28-19-23-25-24(31-16-9-10-17-31)15-7-8-18-32(25)27(34)33(22-13-5-2-6-14-22)26(23)30-20-29-21-11-3-1-4-12-21/h1-6,11-14,20,24-25H,7-10,15-18H2,(H,29,30)
InChIKey NSNOHUZFFPPPQP-UHFFFAOYSA-N
Mol Weight 454.58 g/mol
Molecular Formula C27H30N6O
Exact Mass 454.24811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nksKGOIxtC
Name N-(4-Cyano-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepin-3-yl)-N-phenylformamidine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N6O
InChI InChI=1S/C27H30N6O/c28-19-23-25-24(31-16-9-10-17-31)15-7-8-18-32(25)27(34)33(22-13-5-2-6-14-22)26(23)30-20-29-21-11-3-1-4-12-21/h1-6,11-14,20,24-25H,7-10,15-18H2,(H,29,30)
InChIKey NSNOHUZFFPPPQP-UHFFFAOYSA-N
Molecular Weight 454.578 g/mol
SMILES N(\C=N\C=1N(C(N2C(C(N3CCCC3)CCCC2)C1C#N)=O)c1ccccc1)c1ccccc1
SPLASH splash10-0f6t-0900600000-356d43254196d04ec361
Source of Spectrum F2-45-3150-7a
Synonyms N'-[4-cyano-1-oxo-2-phenyl-5-(1-pyrrolidinyl)-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-3-yl]-N-phenylmethanimidamide N'-(4-cyano-1-oxo-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-3-yl)-N-phenylmethanimidamide N'-(4-cyano-1-oxo-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-3-yl)-N-phenyl-formamidine N'-(4-cyano-1-oxidanylidene-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-3-yl)-N-phenyl-methanimidamide
Wiley ID 1689216