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

Systemtic Name: ethyl 1-[6-(3-cyanophenyl)carbonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(3-cyanobenzoyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(3-cyanophenyl)-oxomethyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3-cyanobenzoyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3-cyanobenzoyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C29H29N5O3 MolecularWeight: 495.57226

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H29N5O3/c1-2-37-29(36)22-11-14-33(15-12-22)27-24-19-34(28(35)23-10-6-7-20(17-23)18-30)16-13-25(24)31-26(32-27)21-8-4-3-5-9-21/h3-10,17,22H,2,11-16,19H2,1H3