1-[5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone Openeye Name: 1-[5-[(4-chlorophenyl)methylamino]-3-(p-tolyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone CAS Name: 1-[5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenylethanone IUPAC Name: 1-[5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenylethanone Traditional Name: 1-[5-[(4-chlorobenzyl)amino]-3-(p-tolyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone Formula: C24H21ClN4O MolecularWeight: 416.90274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)Cl)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)Cl)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H21ClN4O/c1-17-7-11-20(12-8-17)23-27-24(26-16-19-9-13-21(25)14-10-19)29(28-23)22(30)15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,26,27,28)