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

Systemtic Name: 5-(azepan-1-ylcarbonyl)-2-[2-(azepan-1-ylcarbonyl)phenyl]isoindole-1,3-dione Openeye Name: 5-(azepane-1-carbonyl)-2-[2-(azepane-1-carbonyl)phenyl]isoindoline-1,3-dione CAS Name: 5-[1-azepanyl(oxo)methyl]-2-[2-[1-azepanyl(oxo)methyl]phenyl]isoindole-1,3-dione IUPAC Name: 5-(azepane-1-carbonyl)-2-[2-(azepane-1-carbonyl)phenyl]isoindole-1,3-dione Traditional Name: 5-(azepane-1-carbonyl)-2-[2-(azepane-1-carbonyl)phenyl]isoindoline-1,3-quinone Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4C(=O)N5CCCCCC5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4C(=O)N5CCCCCC5

InChI

InChI=1S/C28H31N3O4/c32-25(29-15-7-1-2-8-16-29)20-13-14-21-23(19-20)28(35)31(27(21)34)24-12-6-5-11-22(24)26(33)30-17-9-3-4-10-18-30/h5-6,11-14,19H,1-4,7-10,15-18H2