(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid (6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C22H21N5O3/c1-15-3-2-4-20-25-18(11-21(28)27(15)20)14-30-22(29)17-7-9-26(10-8-17)19-6-5-16(12-23)13-24-19/h2-6,11,13,17H,7-10,14H2,1H3