2-cyclohexyl-5-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-cyclohexyl-5-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-cyclohexyl-5-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-cyclohexyl-5-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-cyclohexyl-5-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-cyclohexyl-5-[4-(2,5-dimethoxybenzyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5CCCCC5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5CCCCC5

InChI

InChI=1S/C28H33N3O5/c1-35-22-9-11-25(36-2)20(16-22)18-29-12-14-30(15-13-29)26(32)19-8-10-23-24(17-19)28(34)31(27(23)33)21-6-4-3-5-7-21/h8-11,16-17,21H,3-7,12-15,18H2,1-2H3