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

Systemtic Name: 1-[3-(4-methylphenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-2-phenyl-ethanone Openeye Name: 1-[5-(benzylamino)-3-(p-tolyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone CAS Name: 1-[3-(4-methylphenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-2-phenylethanone IUPAC Name: 1-[5-(benzylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenylethanone Traditional Name: 1-[5-(benzylamino)-3-(p-tolyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone Formula: C24H22N4O MolecularWeight: 382.45768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O/c1-18-12-14-21(15-13-18)23-26-24(25-17-20-10-6-3-7-11-20)28(27-23)22(29)16-19-8-4-2-5-9-19/h2-15H,16-17H2,1H3,(H,25,26,27)