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

Systemtic Name: 3-[2-(azepan-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-methyl-prop-2-enamide Openeye Name: 3-[2-(azepan-1-yl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-methyl-prop-2-enamide CAS Name: 3-[2-(1-azepanyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-N-methyl-2-propenamide IUPAC Name: 3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-methylprop-2-enamide Traditional Name: 3-[2-(azepan-1-yl)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-methyl-acrylamide Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=CC1=C(N=C2C=CC=CN2C1=O)N3CCCCCC3)C#N

Isomeric SMILES

CNC(=O)C(=CC1=C(N=C2C=CC=CN2C1=O)N3CCCCCC3)C#N

InChI

InChI=1S/C19H21N5O2/c1-21-18(25)14(13-20)12-15-17(23-9-5-2-3-6-10-23)22-16-8-4-7-11-24(16)19(15)26/h4,7-8,11-12H,2-3,5-6,9-10H2,1H3,(H,21,25)