2-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzo[e]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzo[e]isoindole-1,3-dione Openeye Name: 2-[4-[4-(2-isopropoxyphenyl)piperazin-1-yl]cyclohexyl]benzo[e]isoindole-1,3-dione CAS Name: 2-[4-[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]cyclohexyl]benzo[e]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzo[e]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2-isopropoxyphenyl)piperazino]cyclohexyl]benz[e]isoindole-1,3-quinone Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)C3CCC(CC3)N4C(=O)C5=C(C4=O)C6=CC=CC=C6C=C5

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)C3CCC(CC3)N4C(=O)C5=C(C4=O)C6=CC=CC=C6C=C5

InChI

InChI=1S/C31H35N3O3/c1-21(2)37-28-10-6-5-9-27(28)33-19-17-32(18-20-33)23-12-14-24(15-13-23)34-30(35)26-16-11-22-7-3-4-8-25(22)29(26)31(34)36/h3-11,16,21,23-24H,12-15,17-20H2,1-2H3