(4-pyrrolidin-1-ylcarbonylphenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O3/c32-26(30-17-7-8-18-30)22-15-13-20(14-16-22)19-34-27(33)24-28-25(21-9-3-1-4-10-21)31(29-24)23-11-5-2-6-12-23/h1-6,9-16H,7-8,17-19H2