N-(3-chloranyl-4-fluoranyl-phenyl)-4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazine-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazine-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[6-(3-methoxyphenyl)-3-pyridazinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazine-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazine-1-carboxamide Formula: C22H21ClFN5O2 MolecularWeight: 441.885843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H21ClFN5O2/c1-31-17-4-2-3-15(13-17)20-7-8-21(27-26-20)28-9-11-29(12-10-28)22(30)25-16-5-6-19(24)18(23)14-16/h2-8,13-14H,9-12H2,1H3,(H,25,30)