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

Systemtic Name: 2-cyano-3-[9-methyl-4-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enyl-prop-2-enamide Openeye Name: N-allyl-3-[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-prop-2-enamide CAS Name: 2-cyano-3-[9-methyl-4-oxo-2-[4-(phenylmethyl)-1-piperazinyl]-3-pyrido[1,2-a]pyrimidinyl]-N-prop-2-enyl-2-propenamide IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-prop-2-enylprop-2-enamide Traditional Name: N-allyl-3-[2-(4-benzylpiperazino)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-acrylamide Formula: C27H28N6O2 MolecularWeight: 468.55022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCC=C)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCC=C)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N6O2/c1-3-11-29-26(34)22(18-28)17-23-25(30-24-20(2)8-7-12-33(24)27(23)35)32-15-13-31(14-16-32)19-21-9-5-4-6-10-21/h3-10,12,17H,1,11,13-16,19H2,2H3,(H,29,34)