(3S)-3-[4-(dimethylaminomethyl)-3-oxidanyl-phenyl]-3-ethyl-1-methyl-azepan-2-one

Systemtic Name: (3S)-3-[4-(dimethylaminomethyl)-3-oxidanyl-phenyl]-3-ethyl-1-methyl-azepan-2-one Openeye Name: (3S)-3-[4-(dimethylaminomethyl)-3-hydroxy-phenyl]-3-ethyl-1-methyl-azepan-2-one CAS Name: (3S)-3-[4-(dimethylaminomethyl)-3-hydroxyphenyl]-3-ethyl-1-methyl-2-azepanone IUPAC Name: (3S)-3-[4-(dimethylaminomethyl)-3-hydroxyphenyl]-3-ethyl-1-methylazepan-2-one Traditional Name: (3S)-3-[4-(dimethylaminomethyl)-3-hydroxy-phenyl]-3-ethyl-1-methyl-azepan-2-one Formula: C18H28N2O2 MolecularWeight: 304.42712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=C(C=C2)CN(C)C)O

Isomeric SMILES

CC[C@]1(CCCCN(C1=O)C)C2=CC(=C(C=C2)CN(C)C)O

InChI

InChI=1S/C18H28N2O2/c1-5-18(10-6-7-11-20(4)17(18)22)15-9-8-14(13-19(2)3)16(21)12-15/h8-9,12,21H,5-7,10-11,13H2,1-4H3/t18-/m0/s1