[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C24H21ClN4O4 MolecularWeight: 464.90094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H21ClN4O4/c25-18-7-5-16(6-8-18)22(30)28-12-9-17(10-13-28)24(32)33-15-21-27-20-4-2-1-3-19(20)23(31)29(21)14-11-26/h1-8,17H,9-10,12-15H2