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

Systemtic Name: 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]butan-1-one CAS Name: 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]butan-1-one Traditional Name: 1-[5-(benzylamino)-3-(p-tolyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C20H22N4O MolecularWeight: 334.41488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)C)NCC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)C)NCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O/c1-3-7-18(25)24-20(21-14-16-8-5-4-6-9-16)22-19(23-24)17-12-10-15(2)11-13-17/h4-6,8-13H,3,7,14H2,1-2H3,(H,21,22,23)