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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-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-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C24H23N5O3 MolecularWeight: 429.47112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H23N5O3/c25-17-24(14-8-3-9-15-24)27-20(30)16-32-23(31)21-26-22(18-10-4-1-5-11-18)29(28-21)19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-16H2,(H,27,30)