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

Systemtic Name: 2-[3-(azepan-1-ylcarbonyl)phenyl]isoindole-1,3-dione Openeye Name: 2-[3-(azepane-1-carbonyl)phenyl]isoindoline-1,3-dione CAS Name: 2-[3-[1-azepanyl(oxo)methyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[3-(azepane-1-carbonyl)phenyl]isoindole-1,3-dione Traditional Name: 2-[3-(azepane-1-carbonyl)phenyl]isoindoline-1,3-quinone Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N2O3/c24-19(22-12-5-1-2-6-13-22)15-8-7-9-16(14-15)23-20(25)17-10-3-4-11-18(17)21(23)26/h3-4,7-11,14H,1-2,5-6,12-13H2