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

Systemtic Name: N-[4-bromanyl-3-(trifluoromethyl)phenyl]-1-(6-chloranylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide CAS Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(6-chloro-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(6-chloropyridazin-3-yl)isonipecotamide Formula: C17H15BrClF3N4O MolecularWeight: 463.67941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrClF3N4O/c18-13-2-1-11(9-12(13)17(20,21)22)23-16(27)10-5-7-26(8-6-10)15-4-3-14(19)24-25-15/h1-4,9-10H,5-8H2,(H,23,27)