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

Systemtic Name: [1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (2-indolin-1-yl-1-methyl-2-oxo-ethyl) 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-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-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid (2-indolin-1-yl-2-keto-1-methyl-ethyl) ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3/c1-16(21(26)25-12-11-18-9-5-6-10-20(18)25)28-22(27)19-13-23-24(15-19)14-17-7-3-2-4-8-17/h2-10,13,15-16H,11-12,14H2,1H3