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

Systemtic Name: 2-[[3-(azepan-1-ylcarbonyl)phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-(azepane-1-carbonyl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[1-azepanyl(oxo)methyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(azepane-1-carbonyl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-(azepane-1-carbonyl)benzyl]isoindoline-1,3-quinone Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22N2O3/c25-20(23-12-5-1-2-6-13-23)17-9-7-8-16(14-17)15-24-21(26)18-10-3-4-11-19(18)22(24)27/h3-4,7-11,14H,1-2,5-6,12-13,15H2