[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-18-10-8-9-15-21(18)26-24(29)17-31-25(30)23-16-22(19-11-4-2-5-12-19)27-28(23)20-13-6-3-7-14-20/h2-7,11-14,16,18,21H,8-10,15,17H2,1H3,(H,26,29)/t18-,21-/m0/s1