2-(3-chloranyl-4-methyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-(3-chloranyl-4-methyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(3-chloro-4-methyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-(3-chloro-4-methylphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(3-chloro-4-methylphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-(3-chloro-4-methyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C21H20ClNO2 MolecularWeight: 353.842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H20ClNO2/c1-13-7-9-16(12-19(13)22)23-20(24)17-10-8-15(11-18(17)21(23)25)14-5-3-2-4-6-14/h2-7,9,12,15,17-18H,8,10-11H2,1H3