ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxidanylidene-pyridazin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxidanylidene-pyridazin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxo-pyridazine-3-carbonyl]amino]benzoate CAS Name: 2-[[[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carbonyl]amino]benzoate Traditional Name: 2-[[1-(3-fluorobenzyl)-6-keto-pyridazine-3-carbonyl]amino]benzoic acid ethyl ester Formula: C21H18FN3O4 MolecularWeight: 395.383723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H18FN3O4/c1-2-29-21(28)16-8-3-4-9-17(16)23-20(27)18-10-11-19(26)25(24-18)13-14-6-5-7-15(22)12-14/h3-12H,2,13H2,1H3,(H,23,27)