2-cyclohexyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-cyclohexyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-cyclohexyl-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-cyclohexyl-5-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-cyclohexyl-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-cyclohexyl-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5CCCCC5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5CCCCC5)C

InChI

InChI=1S/C27H31N3O3/c1-18-7-6-10-24(19(18)2)28-13-15-29(16-14-28)25(31)20-11-12-22-23(17-20)27(33)30(26(22)32)21-8-4-3-5-9-21/h6-7,10-12,17,21H,3-5,8-9,13-16H2,1-2H3