3-[2-(azepan-1-yl)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: 3-[2-(azepan-1-yl)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: 3-[2-(azepan-1-yl)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-N-benzyl-2-cyano-prop-2-enamide CAS Name: 3-[2-(1-azepanyl)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: 3-[2-(azepan-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-benzyl-2-cyanoprop-2-enamide Traditional Name: 3-[2-(azepan-1-yl)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]-N-benzyl-2-cyano-acrylamide Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCC3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCC3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C26H27N5O2/c1-19-10-9-15-31-23(19)29-24(30-13-7-2-3-8-14-30)22(26(31)33)16-21(17-27)25(32)28-18-20-11-5-4-6-12-20/h4-6,9-12,15-16H,2-3,7-8,13-14,18H2,1H3,(H,28,32)