1-[4-[3-(2-bromanylethanoyl)phenyl]-3,4-dimethyl-piperidin-1-yl]hexan-1-one

Systemtic Name: 1-[4-[3-(2-bromanylethanoyl)phenyl]-3,4-dimethyl-piperidin-1-yl]hexan-1-one Openeye Name: 1-[4-[3-(2-bromoacetyl)phenyl]-3,4-dimethyl-1-piperidyl]hexan-1-one CAS Name: 1-[4-[3-(2-bromo-1-oxoethyl)phenyl]-3,4-dimethyl-1-piperidinyl]-1-hexanone IUPAC Name: 1-[4-[3-(2-bromoacetyl)phenyl]-3,4-dimethylpiperidin-1-yl]hexan-1-one Traditional Name: 1-[4-[3-(2-bromoacetyl)phenyl]-3,4-dimethyl-piperidino]hexan-1-one Formula: C21H30BrNO2 MolecularWeight: 408.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCC(C(C1)C)(C)C2=CC=CC(=C2)C(=O)CBr

Isomeric SMILES

CCCCCC(=O)N1CCC(C(C1)C)(C)C2=CC=CC(=C2)C(=O)CBr

InChI

InChI=1S/C21H30BrNO2/c1-4-5-6-10-20(25)23-12-11-21(3,16(2)15-23)18-9-7-8-17(13-18)19(24)14-22/h7-9,13,16H,4-6,10-12,14-15H2,1-3H3