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

Systemtic Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone Openeye Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(p-tolyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone CAS Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenylethanone IUPAC Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenylethanone Traditional Name: 1-[5-[[4-(dimethylamino)benzyl]amino]-3-(p-tolyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone Formula: C26H27N5O MolecularWeight: 425.52548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O/c1-19-9-13-22(14-10-19)25-28-26(27-18-21-11-15-23(16-12-21)30(2)3)31(29-25)24(32)17-20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,27,28,29)