4-(4-cyclohexa-1,5-dien-3-yn-1-yl-4-oxidanyl-piperidin-1-yl)-1-(4-fluorophenyl)butan-1-one

Systemtic Name: 4-(4-cyclohexa-1,5-dien-3-yn-1-yl-4-oxidanyl-piperidin-1-yl)-1-(4-fluorophenyl)butan-1-one Openeye Name: 4-(4-cyclohexa-1,5-dien-3-yn-1-yl-4-hydroxy-1-piperidyl)-1-(4-fluorophenyl)butan-1-one CAS Name: 4-[4-(1-cyclohexa-1,5-dien-3-ynyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-(4-cyclohexa-1,5-dien-3-yn-1-yl-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one Traditional Name: 4-(4-cyclohexa-1,5-dien-3-yn-1-yl-4-hydroxy-piperidino)-1-(4-fluorophenyl)butan-1-one Formula: C21H22FNO2 MolecularWeight: 339.403283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC#CC=C2)O)CCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1(C2=CC#CC=C2)O)CCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FNO2/c22-19-10-8-17(9-11-19)20(24)7-4-14-23-15-12-21(25,13-16-23)18-5-2-1-3-6-18/h2,5-6,8-11,25H,4,7,12-16H2