2-cycloheptyl-4-[4-[2-(2-methylphenyl)ethanoyl]piperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-cycloheptyl-4-[4-[2-(2-methylphenyl)ethanoyl]piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-cycloheptyl-4-[4-[2-(o-tolyl)acetyl]piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-cycloheptyl-4-[4-[2-(2-methylphenyl)-1-oxoethyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-cycloheptyl-4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-cycloheptyl-4-[4-[2-(o-tolyl)acetyl]piperazino]isoindoline-1,3-quinone Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)C5CCCCCC5

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)C5CCCCCC5

InChI

InChI=1S/C28H33N3O3/c1-20-9-6-7-10-21(20)19-25(32)30-17-15-29(16-18-30)24-14-8-13-23-26(24)28(34)31(27(23)33)22-11-4-2-3-5-12-22/h6-10,13-14,22H,2-5,11-12,15-19H2,1H3