3-methyl-1-[3-(4-methylphenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[3-(4-methylphenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[5-(benzylamino)-3-(p-tolyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[3-(4-methylphenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[5-(benzylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 1-[5-(benzylamino)-3-(p-tolyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C21H24N4O MolecularWeight: 348.44146

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O/c1-15(2)13-19(26)25-21(22-14-17-7-5-4-6-8-17)23-20(24-25)18-11-9-16(3)10-12-18/h4-12,15H,13-14H2,1-3H3,(H,22,23,24)