2-(3,4-dimethoxyphenyl)-4-[4-(1-phenylcyclohexyl)carbonylpiperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-[4-(1-phenylcyclohexyl)carbonylpiperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-(3,4-dimethoxyphenyl)-4-[4-(1-phenylcyclohexanecarbonyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-(3,4-dimethoxyphenyl)-4-[4-[oxo-(1-phenylcyclohexyl)methyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-[4-(1-phenylcyclohexanecarbonyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-(3,4-dimethoxyphenyl)-4-[4-(1-phenylcyclohexanecarbonyl)piperazino]isoindoline-1,3-quinone Formula: C33H35N3O5 MolecularWeight: 553.6481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)C5(CCCCC5)C6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)C5(CCCCC5)C6=CC=CC=C6)OC

InChI

InChI=1S/C33H35N3O5/c1-40-27-15-14-24(22-28(27)41-2)36-30(37)25-12-9-13-26(29(25)31(36)38)34-18-20-35(21-19-34)32(39)33(16-7-4-8-17-33)23-10-5-3-6-11-23/h3,5-6,9-15,22H,4,7-8,16-21H2,1-2H3