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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazine-1-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazine-1-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-[6-(4-fluorophenyl)-3-pyridazinyl]-1-piperazinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazine-1-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazine-1-carboxamide Formula: C22H21ClFN5O2 MolecularWeight: 441.885843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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