3,6-bis(chloranyl)-7-[4-(7-oxidanylideneazepan-2-yl)carbonylphenyl]carbonyl-azepan-2-one

Systemtic Name: 3,6-bis(chloranyl)-7-[4-(7-oxidanylideneazepan-2-yl)carbonylphenyl]carbonyl-azepan-2-one Openeye Name: 3,6-dichloro-7-[4-(7-oxoazepane-2-carbonyl)benzoyl]azepan-2-one CAS Name: 3,6-dichloro-7-[oxo-[4-[oxo-(7-oxo-2-azepanyl)methyl]phenyl]methyl]-2-azepanone IUPAC Name: 3,6-dichloro-7-[4-(7-oxoazepane-2-carbonyl)benzoyl]azepan-2-one Traditional Name: 3,6-dichloro-7-[4-(7-ketoazepane-2-carbonyl)benzoyl]azepan-2-one Formula: C20H22Cl2N2O4 MolecularWeight: 425.30568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NC(C1)C(=O)C2=CC=C(C=C2)C(=O)C3C(CCC(C(=O)N3)Cl)Cl

Isomeric SMILES

C1CCC(=O)NC(C1)C(=O)C2=CC=C(C=C2)C(=O)C3C(CCC(C(=O)N3)Cl)Cl

InChI

InChI=1S/C20H22Cl2N2O4/c21-13-9-10-14(22)20(28)24-17(13)19(27)12-7-5-11(6-8-12)18(26)15-3-1-2-4-16(25)23-15/h5-8,13-15,17H,1-4,9-10H2,(H,23,25)(H,24,28)