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

Systemtic Name: ethyl 2-cyano-3-[9-methyl-4-oxidanylidene-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate Openeye Name: ethyl 2-cyano-3-[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate CAS Name: 2-cyano-3-[9-methyl-4-oxo-2-(4-phenyl-1-piperazinyl)-3-pyrido[1,2-a]pyrimidinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate Traditional Name: 2-cyano-3-[4-keto-9-methyl-2-(4-phenylpiperazino)pyrido[1,2-a]pyrimidin-3-yl]acrylic acid ethyl ester Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(N=C2C(=CC=CN2C1=O)C)N3CCN(CC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C(=CC1=C(N=C2C(=CC=CN2C1=O)C)N3CCN(CC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H25N5O3/c1-3-33-25(32)19(17-26)16-21-23(27-22-18(2)8-7-11-30(22)24(21)31)29-14-12-28(13-15-29)20-9-5-4-6-10-20/h4-11,16H,3,12-15H2,1-2H3