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

Systemtic Name: ethyl 1-[3-(2,2-dicyanoethenyl)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(2,2-dicyanovinyl)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate CAS Name: 1-[3-(2,2-dicyanoethenyl)-9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2,2-dicyanoethenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[3-(2,2-dicyanovinyl)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl]nipecotic acid ethyl ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C#N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C#N

InChI

InChI=1S/C21H21N5O3/c1-3-29-21(28)16-7-5-8-25(13-16)19-17(10-15(11-22)12-23)20(27)26-9-4-6-14(2)18(26)24-19/h4,6,9-10,16H,3,5,7-8,13H2,1-2H3