6-[(E)-4,4-bis(fluoranyl)-3-oxidanylidene-4-phenyl-but-1-enyl]-1-heptyl-piperidin-2-one

Systemtic Name: 6-[(E)-4,4-bis(fluoranyl)-3-oxidanylidene-4-phenyl-but-1-enyl]-1-heptyl-piperidin-2-one Openeye Name: 6-[(E)-4,4-difluoro-3-oxo-4-phenyl-but-1-enyl]-1-heptyl-piperidin-2-one CAS Name: 6-[(E)-4,4-difluoro-3-oxo-4-phenylbut-1-enyl]-1-heptyl-2-piperidinone IUPAC Name: 6-[(E)-4,4-difluoro-3-oxo-4-phenylbut-1-enyl]-1-heptylpiperidin-2-one Traditional Name: 6-[(E)-4,4-difluoro-3-keto-4-phenyl-but-1-enyl]-1-heptyl-2-piperidone Formula: C22H29F2NO2 MolecularWeight: 377.467966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(CCCC1=O)C=CC(=O)C(C2=CC=CC=C2)(F)F

Isomeric SMILES

CCCCCCCN1C(CCCC1=O)/C=C/C(=O)C(C2=CC=CC=C2)(F)F

InChI

InChI=1S/C22H29F2NO2/c1-2-3-4-5-9-17-25-19(13-10-14-21(25)27)15-16-20(26)22(23,24)18-11-7-6-8-12-18/h6-8,11-12,15-16,19H,2-5,9-10,13-14,17H2,1H3/b16-15+