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3-Imino-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,3,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile
SpectraBase Compound ID 78SZQmn0Yv0
InChI InChI=1S/C20H23N5O/c21-14-16-18-17(23-11-6-7-12-23)10-4-5-13-24(18)20(26)25(19(16)22)15-8-2-1-3-9-15/h1-3,8-9,17,22H,4-7,10-13H2
InChIKey ADVWRHQQTDKLMY-UHFFFAOYSA-N
Mol Weight 349.44 g/mol
Molecular Formula C20H23N5O
Exact Mass 349.19026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bjJoH2HG7Q
Name 3-Imino-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,3,5,6,7,8,9-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 C20H23N5O
InChI InChI=1S/C20H23N5O/c21-14-16-18-17(23-11-6-7-12-23)10-4-5-13-24(18)20(26)25(19(16)22)15-8-2-1-3-9-15/h1-3,8-9,17,22H,4-7,10-13H2
InChIKey ADVWRHQQTDKLMY-UHFFFAOYSA-N
Molecular Weight 349.438 g/mol
SMILES N=C1C(=C2C(N3CCCC3)CCCCN2C(N1c1ccccc1)=O)C#N
SPLASH splash10-0002-0903000000-a95ec7c11f27d36510a8
Source of Spectrum F2-45-3150-3
Synonyms 3-imino-1-oxo-2-phenyl-5-(1-pyrrolidinyl)-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile 3-imino-1-oxo-2-phenyl-5-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile 3-azanylidene-1-oxidanylidene-2-phenyl-5-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile
Wiley ID 1689220