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

Systemtic Name: ethyl 1-(4-fluorophenyl)-4-(3-methylbutanoylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-(4-fluorophenyl)-4-(3-methylbutanoylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4-[(3-methyl-1-oxobutyl)amino]-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluorophenyl)-4-(3-methylbutanoylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4-(isovalerylamino)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C18H20FN3O4 MolecularWeight: 361.367503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O4/c1-4-26-18(25)17-14(20-15(23)9-11(2)3)10-16(24)22(21-17)13-7-5-12(19)6-8-13/h5-8,10-11H,4,9H2,1-3H3,(H,20,23)