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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)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-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O3/c31-23(27-18-10-13-20-11-4-1-5-12-20)19-33-26(32)24-28-25(21-14-6-2-7-15-21)30(29-24)22-16-8-3-9-17-22/h1-9,11-12,14-17H,10,13,18-19H2,(H,27,31)