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

Systemtic Name: ethyl 4-(3-cyclohexylpropanoylamino)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(3-cyclohexylpropanoylamino)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[(3-cyclohexyl-1-oxopropyl)amino]-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-cyclohexylpropanoylamino)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(3-cyclohexylpropanoylamino)-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C22H26FN3O4 MolecularWeight: 415.457943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CCC2CCCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CCC2CCCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O4/c1-2-30-22(29)21-18(24-19(27)13-8-15-6-4-3-5-7-15)14-20(28)26(25-21)17-11-9-16(23)10-12-17/h9-12,14-15H,2-8,13H2,1H3,(H,24,27)