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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F)Cl

InChI

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