4-(azepan-1-yl)-2,6,6-trimethyl-5-oxidanyl-cyclohept-2-en-1-one

Systemtic Name: 4-(azepan-1-yl)-2,6,6-trimethyl-5-oxidanyl-cyclohept-2-en-1-one Openeye Name: 4-(azepan-1-yl)-5-hydroxy-2,6,6-trimethyl-cyclohept-2-en-1-one CAS Name: 4-(1-azepanyl)-5-hydroxy-2,6,6-trimethyl-1-cyclohept-2-enone IUPAC Name: 4-(azepan-1-yl)-5-hydroxy-2,6,6-trimethylcyclohept-2-en-1-one Traditional Name: 4-(azepan-1-yl)-5-hydroxy-2,6,6-trimethyl-cyclohept-2-en-1-one Formula: C16H27NO2 MolecularWeight: 265.39108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(CC1=O)(C)C)O)N2CCCCCC2

Isomeric SMILES

CC1=CC(C(C(CC1=O)(C)C)O)N2CCCCCC2

InChI

InChI=1S/C16H27NO2/c1-12-10-13(17-8-6-4-5-7-9-17)15(19)16(2,3)11-14(12)18/h10,13,15,19H,4-9,11H2,1-3H3