2-[2-(azepan-1-ylcarbonyl)phenyl]-5,6-bis(chloranyl)isoindole-1,3-dione

Systemtic Name: 2-[2-(azepan-1-ylcarbonyl)phenyl]-5,6-bis(chloranyl)isoindole-1,3-dione Openeye Name: 2-[2-(azepane-1-carbonyl)phenyl]-5,6-dichloro-isoindoline-1,3-dione CAS Name: 2-[2-[1-azepanyl(oxo)methyl]phenyl]-5,6-dichloroisoindole-1,3-dione IUPAC Name: 2-[2-(azepane-1-carbonyl)phenyl]-5,6-dichloroisoindole-1,3-dione Traditional Name: 2-[2-(azepane-1-carbonyl)phenyl]-5,6-dichloro-isoindoline-1,3-quinone Formula: C21H18Cl2N2O3 MolecularWeight: 417.28522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2N3C(=O)C4=CC(=C(C=C4C3=O)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2N3C(=O)C4=CC(=C(C=C4C3=O)Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O3/c22-16-11-14-15(12-17(16)23)21(28)25(20(14)27)18-8-4-3-7-13(18)19(26)24-9-5-1-2-6-10-24/h3-4,7-8,11-12H,1-2,5-6,9-10H2