ethyl 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C22H20FN3O3 MolecularWeight: 393.410903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1N2CCC3=CC=CC=C3C2)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1N2CCC3=CC=CC=C3C2)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FN3O3/c1-2-29-22(28)21-19(25-12-11-15-5-3-4-6-16(15)14-25)13-20(27)26(24-21)18-9-7-17(23)8-10-18/h3-10,13H,2,11-12,14H2,1H3