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

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-5,6-bis(chloranyl)isoindole-1,3-dione Openeye Name: 2-[2-(azepan-1-yl)-1-benzyl-2-oxo-ethyl]-5,6-dichloro-isoindoline-1,3-dione CAS Name: 2-[1-(1-azepanyl)-1-oxo-3-phenylpropan-2-yl]-5,6-dichloroisoindole-1,3-dione IUPAC Name: 2-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-5,6-dichloroisoindole-1,3-dione Traditional Name: 2-[2-(azepan-1-yl)-1-benzyl-2-keto-ethyl]-5,6-dichloro-isoindoline-1,3-quinone Formula: C23H22Cl2N2O3 MolecularWeight: 445.33838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC(=C(C=C4C3=O)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC(=C(C=C4C3=O)Cl)Cl

InChI

InChI=1S/C23H22Cl2N2O3/c24-18-13-16-17(14-19(18)25)22(29)27(21(16)28)20(12-15-8-4-3-5-9-15)23(30)26-10-6-1-2-7-11-26/h3-5,8-9,13-14,20H,1-2,6-7,10-12H2