[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-2-indolin-1-yl-1-methyl-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-2-indolin-1-yl-2-keto-1-methyl-ethyl] ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O3/c1-14(20(25)24-12-11-16-9-5-6-10-19(16)24)27-21(26)18-13-17(22-23-18)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,22,23)/t14-/m0/s1