[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 1,3-diphenylpyrazole-4-carboxylate Openeye Name: [2-[[(1S)-1,2-dimethylpropyl]amino]-2-oxo-ethyl] 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid [2-[[(1S)-1,2-dimethylpropyl]amino]-2-keto-ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3/c1-16(2)17(3)24-21(27)15-29-23(28)20-14-26(19-12-8-5-9-13-19)25-22(20)18-10-6-4-7-11-18/h4-14,16-17H,15H2,1-3H3,(H,24,27)/t17-/m0/s1