[1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxylate

Systemtic Name: [1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: (2-indolin-1-yl-1-methyl-2-oxo-ethyl) 1-benzyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxylic acid [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-benzyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3-pyridyl)pyrazole-4-carboxylic acid (2-indolin-1-yl-2-keto-1-methyl-ethyl) ester Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O3/c1-19(26(32)31-15-13-21-10-5-6-12-24(21)31)34-27(33)23-18-30(17-20-8-3-2-4-9-20)29-25(23)22-11-7-14-28-16-22/h2-12,14,16,18-19H,13,15,17H2,1H3