N-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carboxamide

Systemtic Name: N-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carboxamide Openeye Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-[6-(2-thienyl)pyridazin-3-yl]piperazine-1-carboxamide CAS Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(6-thiophen-2-yl-3-pyridazinyl)-1-piperazinecarboxamide IUPAC Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carboxamide Traditional Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-[6-(2-thienyl)pyridazin-3-yl]piperazine-1-carboxamide Formula: C20H17F4N5OS MolecularWeight: 451.440493

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC=CS3)C(=O)NC4=CC(=C(C=C4)F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC=CS3)C(=O)NC4=CC(=C(C=C4)F)C(F)(F)F

InChI

InChI=1S/C20H17F4N5OS/c21-15-4-3-13(12-14(15)20(22,23)24)25-19(30)29-9-7-28(8-10-29)18-6-5-16(26-27-18)17-2-1-11-31-17/h1-6,11-12H,7-10H2,(H,25,30)