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

Systemtic Name: 2-[2-(cyclohexen-1-yl)ethyl]-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-[2-(cyclohexen-1-yl)ethyl]-5-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-[2-(1-cyclohexenyl)ethyl]-5-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(cyclohexen-1-yl)ethyl]-5-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-[2-(cyclohexen-1-yl)ethyl]-5-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CCCCC5

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CCCCC5

InChI

InChI=1S/C29H33N3O3/c1-20-7-6-10-24(17-20)31-16-15-30(19-21(31)2)27(33)23-11-12-25-26(18-23)29(35)32(28(25)34)14-13-22-8-4-3-5-9-22/h6-8,10-12,17-18,21H,3-5,9,13-16,19H2,1-2H3