ethyl 1-[3-(3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(3-amino-2-cyano-3-oxo-prop-1-enyl)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-(3-amino-2-cyano-3-oxoprop-1-enyl)-9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3-amino-2-cyano-3-oxoprop-1-enyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-(3-amino-2-cyano-3-keto-prop-1-enyl)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl]isonipecotic acid ethyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)N

InChI

InChI=1S/C21H23N5O4/c1-3-30-21(29)14-6-9-25(10-7-14)19-16(11-15(12-22)17(23)27)20(28)26-8-4-5-13(2)18(26)24-19/h4-5,8,11,14H,3,6-7,9-10H2,1-2H3,(H2,23,27)