phenacyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: phenacyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: phenacyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid phenacyl ester IUPAC Name: phenacyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid phenacyl ester Formula: C23H17N3O3 MolecularWeight: 383.39938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H17N3O3/c27-20(17-10-4-1-5-11-17)16-29-23(28)21-24-22(18-12-6-2-7-13-18)26(25-21)19-14-8-3-9-15-19/h1-15H,16H2