[1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: [1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C21H22N4O3/c1-15-3-5-17(6-4-15)11-23-20(26)16(2)28-21(27)19-9-7-18(8-10-19)12-25-14-22-13-24-25/h3-10,13-14,16H,11-12H2,1-2H3,(H,23,26)