N-[(4S)-1-(4-ethanoylpiperazin-1-yl)-3-oxidanyl-octan-4-yl]-2-fluoranyl-4-(trifluoromethyl)benzamide

Systemtic Name: N-[(4S)-1-(4-ethanoylpiperazin-1-yl)-3-oxidanyl-octan-4-yl]-2-fluoranyl-4-(trifluoromethyl)benzamide Openeye Name: N-[(1S)-1-[3-(4-acetylpiperazin-1-yl)-1-hydroxy-propyl]pentyl]-2-fluoro-4-(trifluoromethyl)benzamide CAS Name: N-[(4S)-1-(4-acetyl-1-piperazinyl)-3-hydroxyoctan-4-yl]-2-fluoro-4-(trifluoromethyl)benzamide IUPAC Name: N-[(4S)-1-(4-acetylpiperazin-1-yl)-3-hydroxyoctan-4-yl]-2-fluoro-4-(trifluoromethyl)benzamide Traditional Name: N-[(1S)-1-[3-(4-acetylpiperazino)-1-hydroxy-propyl]pentyl]-2-fluoro-4-(trifluoromethyl)benzamide Formula: C22H31F4N3O3 MolecularWeight: 461.493453

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CCN1CCN(CC1)C(=O)C)O)NC(=O)C2=C(C=C(C=C2)C(F)(F)F)F

Isomeric SMILES

CCCC[C@@H](C(CCN1CCN(CC1)C(=O)C)O)NC(=O)C2=C(C=C(C=C2)C(F)(F)F)F

InChI

InChI=1S/C22H31F4N3O3/c1-3-4-5-19(20(31)8-9-28-10-12-29(13-11-28)15(2)30)27-21(32)17-7-6-16(14-18(17)23)22(24,25)26/h6-7,14,19-20,31H,3-5,8-13H2,1-2H3,(H,27,32)/t19-,20?/m0/s1