[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2-methylindolin-1-yl)-2-oxo-ethyl] 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid [2-keto-2-(2-methylindolin-1-yl)ethyl] ester Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CN(N=C3C4=CC=C(C=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CN(N=C3C4=CC=C(C=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O3/c1-19-12-14-21(15-13-19)27-24(17-30(29-27)23-9-4-3-5-10-23)28(33)34-18-26(32)31-20(2)16-22-8-6-7-11-25(22)31/h3-15,17,20H,16,18H2,1-2H3