[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H24N4O4/c1-2-9-24(33)28-21-16-14-19(15-17-21)23(32)18-35-27(34)25-29-26(20-10-5-3-6-11-20)31(30-25)22-12-7-4-8-13-22/h3-8,10-17H,2,9,18H2,1H3,(H,28,33)