[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H25N5O3/c1-16(2)24(4,15-25)27-22(30)17(3)32-23(31)20-26-21(18-11-7-5-8-12-18)29(28-20)19-13-9-6-10-14-19/h5-14,16-17H,1-4H3,(H,27,30)