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

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[3-(4-methoxyphenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-one Formula: C19H20N4O2 MolecularWeight: 336.3877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O2/c1-3-17(24)23-19(20-13-14-7-5-4-6-8-14)21-18(22-23)15-9-11-16(25-2)12-10-15/h4-12H,3,13H2,1-2H3,(H,20,21,22)