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

Systemtic Name: 2-cyano-3-[9-methyl-4-oxidanylidene-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]-N-phenethyl-prop-2-enamide Openeye Name: 2-cyano-3-[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]-N-phenethyl-prop-2-enamide CAS Name: 2-cyano-3-[9-methyl-4-oxo-2-(4-phenyl-1-piperazinyl)-3-pyrido[1,2-a]pyrimidinyl]-N-phenethyl-2-propenamide IUPAC Name: 2-cyano-3-[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]-N-phenethylprop-2-enamide Traditional Name: 2-cyano-3-[4-keto-9-methyl-2-(4-phenylpiperazino)pyrido[1,2-a]pyrimidin-3-yl]-N-phenethyl-acrylamide Formula: C31H30N6O2 MolecularWeight: 518.6089

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)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCCC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C31H30N6O2/c1-23-9-8-16-37-28(23)34-29(36-19-17-35(18-20-36)26-12-6-3-7-13-26)27(31(37)39)21-25(22-32)30(38)33-15-14-24-10-4-2-5-11-24/h2-13,16,21H,14-15,17-20H2,1H3,(H,33,38)