[(1R)-3-oxidanylidene-2-propyl-1H-isoindol-1-yl] 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: [(1R)-3-oxidanylidene-2-propyl-1H-isoindol-1-yl] 1,3-diphenylpyrazole-4-carboxylate Openeye Name: [(1R)-3-oxo-2-propyl-isoindolin-1-yl] 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid [(1R)-3-oxo-2-propyl-1H-isoindol-1-yl] ester IUPAC Name: [(1R)-3-oxo-2-propyl-1H-isoindol-1-yl] 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid [(1R)-3-keto-2-propyl-isoindolin-1-yl] ester Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C2=CC=CC=C2C1=O)OC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCN1[C@@H](C2=CC=CC=C2C1=O)OC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O3/c1-2-17-29-25(31)21-15-9-10-16-22(21)26(29)33-27(32)23-18-30(20-13-7-4-8-14-20)28-24(23)19-11-5-3-6-12-19/h3-16,18,26H,2,17H2,1H3/t26-/m1/s1