N-(5-chloranyl-2-methoxy-phenyl)-4-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]piperazine-1-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]piperazine-1-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-[1-(4-fluorophenyl)-6-oxo-pyridazin-3-yl]piperazine-1-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-[1-(4-fluorophenyl)-6-oxo-3-pyridazinyl]-1-piperazinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-[1-(4-fluorophenyl)-6-keto-pyridazin-3-yl]piperazine-1-carboxamide Formula: C22H21ClFN5O3 MolecularWeight: 457.885243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21ClFN5O3/c1-32-19-7-2-15(23)14-18(19)25-22(31)28-12-10-27(11-13-28)20-8-9-21(30)29(26-20)17-5-3-16(24)4-6-17/h2-9,14H,10-13H2,1H3,(H,25,31)