N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4,7-dimethylquinazolin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4,7-dimethylquinazolin-2-yl)piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4,7-dimethylquinazolin-2-yl)piperidine-4-carboxamide CAS Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4,7-dimethyl-2-quinazolinyl)-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4,7-dimethylquinazolin-2-yl)piperidine-4-carboxamide Traditional Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4,7-dimethylquinazolin-2-yl)isonipecotamide Formula: C24H27ClN4O MolecularWeight: 422.95038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC(CC3)C(=O)NC(C)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC(CC3)C(=O)N[C@@H](C)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C24H27ClN4O/c1-15-4-9-21-17(3)27-24(28-22(21)14-15)29-12-10-19(11-13-29)23(30)26-16(2)18-5-7-20(25)8-6-18/h4-9,14,16,19H,10-13H2,1-3H3,(H,26,30)/t16-/m0/s1