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

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one CAS Name: 1-[3-(4-methoxyphenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-2-methyl-1-propanone IUPAC Name: 1-[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methylpropan-1-one Traditional Name: 1-[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2/c1-14(2)19(25)24-20(21-13-15-7-5-4-6-8-15)22-18(23-24)16-9-11-17(26-3)12-10-16/h4-12,14H,13H2,1-3H3,(H,21,22,23)