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

Systemtic Name: 1-[3-(4-chlorophenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[5-(benzylamino)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one CAS Name: 1-[3-(4-chlorophenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-2-methyl-1-propanone IUPAC Name: 1-[5-(benzylamino)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-2-methylpropan-1-one Traditional Name: 1-[5-(benzylamino)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Formula: C19H19ClN4O MolecularWeight: 354.83336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O/c1-13(2)18(25)24-19(21-12-14-6-4-3-5-7-14)22-17(23-24)15-8-10-16(20)11-9-15/h3-11,13H,12H2,1-2H3,(H,21,22,23)