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

Systemtic Name: 3-[2-(azepan-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide Openeye Name: 3-[2-(azepan-1-yl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide CAS Name: 3-[2-(1-azepanyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-N-(4-ethoxyphenyl)-2-propenamide IUPAC Name: 3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide Traditional Name: 3-[2-(azepan-1-yl)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-p-phenetyl-acrylamide Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCCCCC4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCCCCC4)C#N

InChI

InChI=1S/C26H27N5O3/c1-2-34-21-12-10-20(11-13-21)28-25(32)19(18-27)17-22-24(30-14-6-3-4-7-15-30)29-23-9-5-8-16-31(23)26(22)33/h5,8-13,16-17H,2-4,6-7,14-15H2,1H3,(H,28,32)