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2-[3-(4-chlorophenyl)propyl]-6-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-pyridazine-4-carboxylic acid

2-[3-(4-chlorophenyl)propyl]-6-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-pyridazine-4-carboxylic acid

Systemtic Name:2-[3-(4-chlorophenyl)propyl]-6-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-pyridazine-4-carboxylic acid
Openeye Name:2-[3-(4-chlorophenyl)propyl]-6-(3-fluoro-4-methoxy-phenyl)-3-oxo-pyridazine-4-carboxylic acid
CAS Name:2-[3-(4-chlorophenyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-3-oxo-4-pyridazinecarboxylic acid
IUPAC Name:2-[3-(4-chlorophenyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
Traditional Name:2-[3-(4-chlorophenyl)propyl]-6-(3-fluoro-4-methoxy-phenyl)-3-keto-pyridazine-4-carboxylic acid
Formula: C21H18ClFN2O4
MolecularWeight: 416.830023
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)C(=O)O)CCCC3=CC=C(C=C3)Cl)F


Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)C(=O)O)CCCC3=CC=C(C=C3)Cl)F


InChI

InChI=1S/C21H18ClFN2O4/c1-29-19-9-6-14(11-17(19)23)18-12-16(21(27)28)20(26)25(24-18)10-2-3-13-4-7-15(22)8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,27,28)


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