N-[2,5-bis(fluoranyl)phenyl]-4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazine-1-carboxamide

Systemtic Name: N-[2,5-bis(fluoranyl)phenyl]-4-[6-(4-chlorophenyl)pyridazin-3-yl]piperazine-1-carboxamide Openeye Name: 4-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-difluorophenyl)piperazine-1-carboxamide CAS Name: 4-[6-(4-chlorophenyl)-3-pyridazinyl]-N-(2,5-difluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-difluorophenyl)piperazine-1-carboxamide Traditional Name: 4-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-difluorophenyl)piperazine-1-carboxamide Formula: C21H18ClF2N5O MolecularWeight: 429.850326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClF2N5O/c22-15-3-1-14(2-4-15)18-7-8-20(27-26-18)28-9-11-29(12-10-28)21(30)25-19-13-16(23)5-6-17(19)24/h1-8,13H,9-12H2,(H,25,30)