(2-methyl-4-oxidanylidene-pyrido[3,2-d]pyrimidin-3-yl) 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate

Systemtic Name: (2-methyl-4-oxidanylidene-pyrido[3,2-d]pyrimidin-3-yl) 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate Openeye Name: (2-methyl-4-oxo-pyrido[3,2-d]pyrimidin-3-yl) 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid (2-methyl-4-oxo-3-pyrido[3,2-d]pyrimidinyl) ester IUPAC Name: (2-methyl-4-oxopyrido[3,2-d]pyrimidin-3-yl) 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-isonipecotic acid (4-keto-2-methyl-pyrido[3,2-d]pyrimidin-3-yl) ester Formula: C36H33N5O3 MolecularWeight: 583.67892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=O)N1OC(=O)C3(CCN(CC3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)N=CC=C2

Isomeric SMILES

CC1=NC2=C(C(=O)N1OC(=O)C3(CCN(CC3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)N=CC=C2

InChI

InChI=1S/C36H33N5O3/c1-27-39-31-18-11-22-38-32(31)33(42)41(27)44-34(43)35(28-12-5-2-6-13-28)19-23-40(24-20-35)25-21-36(26-37,29-14-7-3-8-15-29)30-16-9-4-10-17-30/h2-18,22H,19-21,23-25H2,1H3