2-(3-chlorophenyl)-4-[4-(2,2-dimethylpropyl)piperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(3-chlorophenyl)-4-[4-(2,2-dimethylpropyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-(3-chlorophenyl)-4-[4-(2,2-dimethylpropyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-(3-chlorophenyl)-4-[4-(2,2-dimethylpropyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-(3-chlorophenyl)-4-[4-(2,2-dimethylpropyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-(3-chlorophenyl)-4-(4-neopentylpiperazino)isoindoline-1,3-quinone Formula: C23H26ClN3O2 MolecularWeight: 411.92444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)CN1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H26ClN3O2/c1-23(2,3)15-25-10-12-26(13-11-25)19-9-5-8-18-20(19)22(29)27(21(18)28)17-7-4-6-16(24)14-17/h4-9,14H,10-13,15H2,1-3H3