[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [4-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [4-(2-ketopyrrolidino)phenyl] ester Formula: C25H20N4O3 MolecularWeight: 424.4513

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)OC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)OC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O3/c30-22-12-7-17-28(22)19-13-15-21(16-14-19)32-25(31)23-26-24(18-8-3-1-4-9-18)29(27-23)20-10-5-2-6-11-20/h1-6,8-11,13-16H,7,12,17H2