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

Systemtic Name: ethyl 1-(4-fluorophenyl)-6-oxidanylidene-4-(4-phenylbutanoylamino)pyridazine-3-carboxylate Openeye Name: ethyl 1-(4-fluorophenyl)-6-oxo-4-(4-phenylbutanoylamino)pyridazine-3-carboxylate CAS Name: 1-(4-fluorophenyl)-6-oxo-4-[(1-oxo-4-phenylbutyl)amino]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluorophenyl)-6-oxo-4-(4-phenylbutanoylamino)pyridazine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-6-keto-4-(4-phenylbutanoylamino)pyridazine-3-carboxylic acid ethyl ester Formula: C23H22FN3O4 MolecularWeight: 423.436883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CCCC2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CCCC2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H22FN3O4/c1-2-31-23(30)22-19(25-20(28)10-6-9-16-7-4-3-5-8-16)15-21(29)27(26-22)18-13-11-17(24)12-14-18/h3-5,7-8,11-15H,2,6,9-10H2,1H3,(H,25,28)