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

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate CAS Name: 2,3-diphenyl-3,4-dihydropyrazole-5-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] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate Traditional Name: 1,5-diphenyl-2-pyrazoline-3-carboxylic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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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(C1)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(C1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H28N4O3/c1-17(2)25(4,16-26)27-23(30)18(3)32-24(31)21-15-22(19-11-7-5-8-12-19)29(28-21)20-13-9-6-10-14-20/h5-14,17-18,22H,15H2,1-4H3,(H,27,30)