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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C=CC(=N2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C=CC(=N2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

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