5-(azepan-1-ylcarbonyl)-2-(4-methoxyphenyl)isoindole-1,3-dione

Systemtic Name: 5-(azepan-1-ylcarbonyl)-2-(4-methoxyphenyl)isoindole-1,3-dione Openeye Name: 5-(azepane-1-carbonyl)-2-(4-methoxyphenyl)isoindoline-1,3-dione CAS Name: 5-[1-azepanyl(oxo)methyl]-2-(4-methoxyphenyl)isoindole-1,3-dione IUPAC Name: 5-(azepane-1-carbonyl)-2-(4-methoxyphenyl)isoindole-1,3-dione Traditional Name: 5-(azepane-1-carbonyl)-2-(4-methoxyphenyl)isoindoline-1,3-quinone Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H22N2O4/c1-28-17-9-7-16(8-10-17)24-21(26)18-11-6-15(14-19(18)22(24)27)20(25)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3