2-[[5-(azepan-1-ylcarbonyl)-2,3-dimethoxy-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-(azepan-1-ylcarbonyl)-2,3-dimethoxy-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[5-(azepane-1-carbonyl)-2,3-dimethoxy-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[5-[1-azepanyl(oxo)methyl]-2,3-dimethoxyphenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(azepane-1-carbonyl)-2,3-dimethoxyphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[5-(azepane-1-carbonyl)-2,3-dimethoxy-benzyl]isoindoline-1,3-quinone Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H26N2O5/c1-30-20-14-16(22(27)25-11-7-3-4-8-12-25)13-17(21(20)31-2)15-26-23(28)18-9-5-6-10-19(18)24(26)29/h5-6,9-10,13-14H,3-4,7-8,11-12,15H2,1-2H3