3-[2-(azepan-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide

Systemtic Name: 3-[2-(azepan-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide Openeye Name: 3-[2-(azepan-1-yl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(p-tolyl)prop-2-enamide CAS Name: 3-[2-(1-azepanyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-N-(4-methylphenyl)-2-propenamide IUPAC Name: 3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide Traditional Name: 3-[2-(azepan-1-yl)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(p-tolyl)acrylamide Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCCCCC4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCCCCC4)C#N

InChI

InChI=1S/C25H25N5O2/c1-18-9-11-20(12-10-18)27-24(31)19(17-26)16-21-23(29-13-5-2-3-6-14-29)28-22-8-4-7-15-30(22)25(21)32/h4,7-12,15-16H,2-3,5-6,13-14H2,1H3,(H,27,31)