ethyl 1-(4-fluorophenyl)-6-oxidanylidene-4-(2-propylpentanoylamino)pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(4-fluorophenyl)-6-oxidanylidene-4-(2-propylpentanoylamino)pyridazine-3-carboxylate Openeye Name: ethyl 1-(4-fluorophenyl)-6-oxo-4-(2-propylpentanoylamino)pyridazine-3-carboxylate CAS Name: 1-(4-fluorophenyl)-6-oxo-4-[(1-oxo-2-propylpentyl)amino]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluorophenyl)-6-oxo-4-(2-propylpentanoylamino)pyridazine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-6-keto-4-(2-propylpentanoylamino)pyridazine-3-carboxylic acid ethyl ester Formula: C21H26FN3O4 MolecularWeight: 403.447243

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC1=CC(=O)N(N=C1C(=O)OCC)C2=CC=C(C=C2)F

Isomeric SMILES

CCCC(CCC)C(=O)NC1=CC(=O)N(N=C1C(=O)OCC)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H26FN3O4/c1-4-7-14(8-5-2)20(27)23-17-13-18(26)25(16-11-9-15(22)10-12-16)24-19(17)21(28)29-6-3/h9-14H,4-8H2,1-3H3,(H,23,27)