2-[3-(azepan-1-ylcarbonyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[3-(azepan-1-ylcarbonyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-(azepane-1-carbonyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-[1-azepanyl(oxo)methyl]phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-(azepane-1-carbonyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-(azepane-1-carbonyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=O)C4CC=CCC4C3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=O)C4CC=CCC4C3=O

InChI

InChI=1S/C21H24N2O3/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/h3-4,7-9,14,17-18H,1-2,5-6,10-13H2