N-(3-fluoranyl-4-methyl-phenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-1-[3-(trifluoromethyl)-2-quinoxalinyl]-4-piperidinecarboxamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]isonipecotamide Formula: C22H20F4N4O MolecularWeight: 432.414013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(F)(F)F)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(F)(F)F)F

InChI

InChI=1S/C22H20F4N4O/c1-13-6-7-15(12-16(13)23)27-21(31)14-8-10-30(11-9-14)20-19(22(24,25)26)28-17-4-2-3-5-18(17)29-20/h2-7,12,14H,8-11H2,1H3,(H,27,31)