4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione

Systemtic Name: 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione Openeye Name: 4-[4-(azepane-1-carbonyl)-1-piperidyl]-2-[(4-methoxyphenyl)methyl]isoindoline-1,3-dione CAS Name: 4-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione IUPAC Name: 4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione Traditional Name: 4-[4-(azepane-1-carbonyl)piperidino]-2-p-anisyl-isoindoline-1,3-quinone Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC(CC4)C(=O)N5CCCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC(CC4)C(=O)N5CCCCCC5

InChI

InChI=1S/C28H33N3O4/c1-35-22-11-9-20(10-12-22)19-31-27(33)23-7-6-8-24(25(23)28(31)34)29-17-13-21(14-18-29)26(32)30-15-4-2-3-5-16-30/h6-12,21H,2-5,13-19H2,1H3