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

Systemtic Name: 2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide CAS Name: 2-cyano-3-[9-methyl-2-(4-methyl-1-piperazinyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-2-cyano-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide Traditional Name: N-benzyl-2-cyano-3-[4-keto-9-methyl-2-(4-methylpiperazino)pyrido[1,2-a]pyrimidin-3-yl]acrylamide Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCC3=CC=CC=C3)N4CCN(CC4)C

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCC3=CC=CC=C3)N4CCN(CC4)C

InChI

InChI=1S/C25H26N6O2/c1-18-7-6-10-31-22(18)28-23(30-13-11-29(2)12-14-30)21(25(31)33)15-20(16-26)24(32)27-17-19-8-4-3-5-9-19/h3-10,15H,11-14,17H2,1-2H3,(H,27,32)