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

Systemtic Name: 2-cyclohexyl-5-[4-(3-methylphenyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-cyclohexyl-5-[4-(m-tolyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-cyclohexyl-5-[[4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-cyclohexyl-5-[4-(3-methylphenyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-cyclohexyl-5-[4-(m-tolyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3/c1-18-6-5-9-21(16-18)27-12-14-28(15-13-27)24(30)19-10-11-22-23(17-19)26(32)29(25(22)31)20-7-3-2-4-8-20/h5-6,9-11,16-17,20H,2-4,7-8,12-15H2,1H3