[2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(dicyclohexylamino)-2-oxo-ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(dicyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(dicyclohexylamino)-2-oxoethyl] 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(dicyclohexylamino)-2-keto-ethyl] ester Formula: C30H34ClN3O3 MolecularWeight: 520.06226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C30H34ClN3O3/c31-23-18-16-22(17-19-23)29-27(20-33(32-29)24-10-4-1-5-11-24)30(36)37-21-28(35)34(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1,4-5,10-11,16-20,25-26H,2-3,6-9,12-15,21H2