(4E)-4-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-yl-piperidine-1-carboxamide

Systemtic Name: (4E)-4-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-yl-piperidine-1-carboxamide Openeye Name: (4E)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylene]-3-methyl-N-pyridazin-3-yl-piperidine-1-carboxamide CAS Name: (4E)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-(3-pyridazinyl)-1-piperidinecarboxamide IUPAC Name: (4E)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide Traditional Name: (4E)-4-[4-fluoro-3-(trifluoromethyl)benzylidene]-3-methyl-N-pyridazin-3-yl-piperidine-1-carboxamide Formula: C19H18F4N4O MolecularWeight: 394.366033

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1=CC2=CC(=C(C=C2)F)C(F)(F)F)C(=O)NC3=NN=CC=C3

Isomeric SMILES

CC\1CN(CC/C1=C\C2=CC(=C(C=C2)F)C(F)(F)F)C(=O)NC3=NN=CC=C3

InChI

InChI=1S/C19H18F4N4O/c1-12-11-27(18(28)25-17-3-2-7-24-26-17)8-6-14(12)9-13-4-5-16(20)15(10-13)19(21,22)23/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,25,26,28)/b14-9+