(4-oxidanylidenequinazolin-3-yl) 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate

Systemtic Name: (4-oxidanylidenequinazolin-3-yl) 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate Openeye Name: (4-oxoquinazolin-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 (4-oxo-3-quinazolinyl) ester IUPAC Name: (4-oxoquinazolin-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-ketoquinazolin-3-yl) ester Formula: C36H32N4O3 MolecularWeight: 568.66428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)ON3C=NC4=CC=CC=C4C3=O)CCC(C#N)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)ON3C=NC4=CC=CC=C4C3=O)CCC(C#N)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H32N4O3/c37-26-36(29-14-6-2-7-15-29,30-16-8-3-9-17-30)22-25-39-23-20-35(21-24-39,28-12-4-1-5-13-28)34(42)43-40-27-38-32-19-11-10-18-31(32)33(40)41/h1-19,27H,20-25H2