1-[4-(3-ethanoylphenyl)-3,4-dimethyl-piperidin-1-yl]hexan-1-one

Systemtic Name: 1-[4-(3-ethanoylphenyl)-3,4-dimethyl-piperidin-1-yl]hexan-1-one Openeye Name: 1-[4-(3-acetylphenyl)-3,4-dimethyl-1-piperidyl]hexan-1-one CAS Name: 1-[4-(3-acetylphenyl)-3,4-dimethyl-1-piperidinyl]-1-hexanone IUPAC Name: 1-[4-(3-acetylphenyl)-3,4-dimethylpiperidin-1-yl]hexan-1-one Traditional Name: 1-[4-(3-acetylphenyl)-3,4-dimethyl-piperidino]hexan-1-one Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO2/c1-5-6-7-11-20(24)22-13-12-21(4,16(2)15-22)19-10-8-9-18(14-19)17(3)23/h8-10,14,16H,5-7,11-13,15H2,1-4H3