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

Systemtic Name: 3-[2-(azepan-1-yl)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-phenethyl-prop-2-enamide Openeye Name: 3-[2-(azepan-1-yl)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-phenethyl-prop-2-enamide CAS Name: 3-[2-(1-azepanyl)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-N-phenethyl-2-propenamide IUPAC Name: 3-[2-(azepan-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-phenethylprop-2-enamide Traditional Name: 3-[2-(azepan-1-yl)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-phenethyl-acrylamide Formula: C27H29N5O2 MolecularWeight: 455.55146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCCC3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCCC3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C27H29N5O2/c1-20-10-9-17-32-24(20)30-25(31-15-7-2-3-8-16-31)23(27(32)34)18-22(19-28)26(33)29-14-13-21-11-5-4-6-12-21/h4-6,9-12,17-18H,2-3,7-8,13-16H2,1H3,(H,29,33)