ethyl 1-[6-(3-cyanophenyl)carbonyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(3-cyanophenyl)carbonyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(3-cyanobenzoyl)-2-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(3-cyanophenyl)-oxomethyl]-2-(2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3-cyanobenzoyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3-cyanobenzoyl)-2-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C28H28N6O3 MolecularWeight: 496.56032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=NC3=C2CN(CC3)C(=O)C4=CC=CC(=C4)C#N)C5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=NC3=C2CN(CC3)C(=O)C4=CC=CC(=C4)C#N)C5=CC=CC=N5

InChI

InChI=1S/C28H28N6O3/c1-2-37-28(36)20-9-13-33(14-10-20)26-22-18-34(27(35)21-7-5-6-19(16-21)17-29)15-11-23(22)31-25(32-26)24-8-3-4-12-30-24/h3-8,12,16,20H,2,9-11,13-15,18H2,1H3