N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-chloranylpyridazin-3-yl)piperidine-4-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-chloranylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-chloro-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-chloropyridazin-3-yl)isonipecotamide Formula: C18H15ClF6N4O MolecularWeight: 452.781319

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=NN=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C18H15ClF6N4O/c19-14-1-2-15(28-27-14)29-5-3-10(4-6-29)16(30)26-13-8-11(17(20,21)22)7-12(9-13)18(23,24)25/h1-2,7-10H,3-6H2,(H,26,30)