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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[6-(4-methylphenyl)pyridazin-3-yl]piperazine-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[6-(p-tolyl)pyridazin-3-yl]piperazine-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[6-(4-methylphenyl)-3-pyridazinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[6-(4-methylphenyl)pyridazin-3-yl]piperazine-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-[6-(p-tolyl)pyridazin-3-yl]piperazine-1-carboxamide Formula: C22H21ClFN5O MolecularWeight: 425.886443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H21ClFN5O/c1-15-2-4-16(5-3-15)20-8-9-21(27-26-20)28-10-12-29(13-11-28)22(30)25-17-6-7-19(24)18(23)14-17/h2-9,14H,10-13H2,1H3,(H,25,30)