2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4CCC(CC4C3=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4CCC(CC4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C25H25N3O3/c1-16-22(25(31)28(26(16)2)19-11-7-4-8-12-19)27-23(29)20-14-13-18(15-21(20)24(27)30)17-9-5-3-6-10-17/h3-12,18,20-21H,13-15H2,1-2H3