2-[[3,5-dimethyl-1-(phenylcarbonyl)pyrazol-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3,5-dimethyl-1-(phenylcarbonyl)pyrazol-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[(1-benzoyl-3,5-dimethyl-pyrazol-4-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(1-benzoyl-3,5-dimethyl-4-pyrazolyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(1-benzoyl-3,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(1-benzoyl-3,5-dimethyl-pyrazol-4-yl)methyl]isoindoline-1,3-quinone Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=CC=C2)C)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=CC=C2)C)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H17N3O3/c1-13-18(12-23-20(26)16-10-6-7-11-17(16)21(23)27)14(2)24(22-13)19(25)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3