[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(N-cyclohexylanilino)-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-(N-cyclohexylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-cyclohexylanilino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-(N-cyclohexylanilino)-2-keto-ethyl] ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC(=O)N(C2CCCCC2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC(=O)N(C2CCCCC2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4/c1-31-22-17-27(19-11-5-2-6-12-19)26-24(22)25(30)32-18-23(29)28(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-3,5-8,11-14,17,21H,4,9-10,15-16,18H2,1H3