5,5-dimethyl-2-[[(3S)-2-oxidanylideneazepan-3-yl]iminomethyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[[(3S)-2-oxidanylideneazepan-3-yl]iminomethyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[[(3S)-2-oxoazepan-3-yl]iminomethyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[[(3S)-2-oxo-3-azepanyl]iminomethyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[[(3S)-2-oxoazepan-3-yl]iminomethyl]cyclohexane-1,3-dione Traditional Name: 2-[[(3S)-2-ketoazepan-3-yl]iminomethyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C=NC2CCCCNC2=O)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C=N[C@H]2CCCCNC2=O)C

InChI

InChI=1S/C15H22N2O3/c1-15(2)7-12(18)10(13(19)8-15)9-17-11-5-3-4-6-16-14(11)20/h9-11H,3-8H2,1-2H3,(H,16,20)/t11-/m0/s1