7-[3,4-bis[(7-oxidanylideneazepan-2-yl)carbonyl]phenyl]carbonylazepan-2-one

Systemtic Name: 7-[3,4-bis[(7-oxidanylideneazepan-2-yl)carbonyl]phenyl]carbonylazepan-2-one Openeye Name: 7-[3,4-bis(7-oxoazepane-2-carbonyl)benzoyl]azepan-2-one CAS Name: 7-[[3,4-bis[oxo-(7-oxo-2-azepanyl)methyl]phenyl]-oxomethyl]-2-azepanone IUPAC Name: 7-[3,4-bis(7-oxoazepane-2-carbonyl)benzoyl]azepan-2-one Traditional Name: 7-[3,4-bis(7-ketoazepane-2-carbonyl)benzoyl]azepan-2-one Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NC(C1)C(=O)C2=CC(=C(C=C2)C(=O)C3CCCCC(=O)N3)C(=O)C4CCCCC(=O)N4

Isomeric SMILES

C1CCC(=O)NC(C1)C(=O)C2=CC(=C(C=C2)C(=O)C3CCCCC(=O)N3)C(=O)C4CCCCC(=O)N4

InChI

InChI=1S/C27H33N3O6/c31-22-10-4-1-7-19(28-22)25(34)16-13-14-17(26(35)20-8-2-5-11-23(32)29-20)18(15-16)27(36)21-9-3-6-12-24(33)30-21/h13-15,19-21H,1-12H2,(H,28,31)(H,29,32)(H,30,33)