[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c29-24(26-17-19-10-4-1-5-11-19)18-31-25(30)23-16-22(20-12-6-2-7-13-20)27-28(23)21-14-8-3-9-15-21/h2-3,6-9,12-16,19H,1,4-5,10-11,17-18H2,(H,26,29)