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

Systemtic Name: ethyl 4-(3,3-dimethylbutanoylamino)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(3,3-dimethylbutanoylamino)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[(3,3-dimethyl-1-oxobutyl)amino]-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,3-dimethylbutanoylamino)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(3,3-dimethylbutanoylamino)-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C19H22FN3O4 MolecularWeight: 375.394083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN3O4/c1-5-27-18(26)17-14(21-15(24)11-19(2,3)4)10-16(25)23(22-17)13-8-6-12(20)7-9-13/h6-10H,5,11H2,1-4H3,(H,21,24)