2-cyclohexyl-6-[4-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonylpiperazin-1-yl]-3H-isoindol-1-one

Systemtic Name: 2-cyclohexyl-6-[4-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonylpiperazin-1-yl]-3H-isoindol-1-one Openeye Name: 2-cyclohexyl-6-[4-(4-hydroxy-3,5-dimethoxy-benzoyl)piperazin-1-yl]isoindolin-1-one CAS Name: 2-cyclohexyl-6-[4-[(4-hydroxy-3,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-3H-isoindol-1-one IUPAC Name: 2-cyclohexyl-6-[4-(4-hydroxy-3,5-dimethoxybenzoyl)piperazin-1-yl]-3H-isoindol-1-one Traditional Name: 2-cyclohexyl-6-(4-syringoylpiperazino)isoindolin-1-one Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C(=O)N2CCN(CC2)C3=CC4=C(CN(C4=O)C5CCCCC5)C=C3

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C(=O)N2CCN(CC2)C3=CC4=C(CN(C4=O)C5CCCCC5)C=C3

InChI

InChI=1S/C27H33N3O5/c1-34-23-14-19(15-24(35-2)25(23)31)26(32)29-12-10-28(11-13-29)21-9-8-18-17-30(27(33)22(18)16-21)20-6-4-3-5-7-20/h8-9,14-16,20,31H,3-7,10-13,17H2,1-2H3