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

Systemtic Name: (E)-2-cyano-N-(2-methoxyethyl)-3-[9-methyl-4-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide Openeye Name: (E)-3-[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-methoxyethyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2-methoxyethyl)-3-[9-methyl-4-oxo-2-[4-(phenylmethyl)-1-piperazinyl]-3-pyrido[1,2-a]pyrimidinyl]-2-propenamide IUPAC Name: (E)-3-[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-methoxyethyl)prop-2-enamide Traditional Name: (E)-3-[2-(4-benzylpiperazino)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-methoxyethyl)acrylamide Formula: C27H30N6O3 MolecularWeight: 486.5655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6O3/c1-20-7-6-11-33-24(20)30-25(23(27(33)35)17-22(18-28)26(34)29-10-16-36-2)32-14-12-31(13-15-32)19-21-8-4-3-5-9-21/h3-9,11,17H,10,12-16,19H2,1-2H3,(H,29,34)/b22-17+