ethyl 4-(azepan-1-yl)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-(azepan-1-yl)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(azepan-1-yl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-(1-azepanyl)-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(azepan-1-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(azepan-1-yl)-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C19H22FN3O3 MolecularWeight: 359.394683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1N2CCCCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1N2CCCCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FN3O3/c1-2-26-19(25)18-16(22-11-5-3-4-6-12-22)13-17(24)23(21-18)15-9-7-14(20)8-10-15/h7-10,13H,2-6,11-12H2,1H3