(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C22H19Cl2N3O4 MolecularWeight: 460.30996

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19Cl2N3O4/c23-15-3-1-13(2-4-15)21(29)27-9-7-14(8-10-27)22(30)31-12-19-25-18-11-16(24)5-6-17(18)20(28)26-19/h1-6,11,14H,7-10,12H2,(H,25,26,28)