[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C25H22N4O3/c1-18-7-13-22(14-8-18)28-24(30)23(20-5-3-2-4-6-20)32-25(31)21-11-9-19(10-12-21)15-29-17-26-16-27-29/h2-14,16-17,23H,15H2,1H3,(H,28,30)