[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C28H22ClN3O3 MolecularWeight: 483.94558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)Cl)CC5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C28H22ClN3O3/c1-18-24(27(29)32(31-18)17-19-10-4-2-5-11-19)28(34)35-26(20-12-6-3-7-13-20)25(33)22-16-30-23-15-9-8-14-21(22)23/h2-16,26,30H,17H2,1H3