2-cyclohexyl-5-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-cyclohexyl-5-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-cyclohexyl-5-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-cyclohexyl-5-[[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-cyclohexyl-5-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-cyclohexyl-5-(4-p-anisoylpiperazine-1-carbonyl)isoindoline-1,3-quinone Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5CCCCC5

InChI

InChI=1S/C27H29N3O5/c1-35-21-10-7-18(8-11-21)24(31)28-13-15-29(16-14-28)25(32)19-9-12-22-23(17-19)27(34)30(26(22)33)20-5-3-2-4-6-20/h7-12,17,20H,2-6,13-16H2,1H3