[1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: [1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: [2-(benzhydrylamino)-1-methyl-2-oxo-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [1-[(diphenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(benzhydrylamino)-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-(benzhydrylamino)-2-keto-1-methyl-ethyl] ester Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C26H24N4O3/c1-19(33-26(32)23-14-12-20(13-15-23)16-30-18-27-17-28-30)25(31)29-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,17-19,24H,16H2,1H3,(H,29,31)