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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(azepan-1-yl)-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-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3/c28-20(26-15-9-1-2-10-16-26)17-30-23(29)21-24-22(18-11-5-3-6-12-18)27(25-21)19-13-7-4-8-14-19/h3-8,11-14H,1-2,9-10,15-17H2