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

Systemtic Name: ethyl 4-(2,2-diphenylethanoylamino)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[(2,2-diphenylacetyl)amino]-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(4-fluorophenyl)-6-oxo-4-[(1-oxo-2,2-diphenylethyl)amino]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,2-diphenylacetyl)amino]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[(2,2-diphenylacetyl)amino]-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C27H22FN3O4 MolecularWeight: 471.479683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H22FN3O4/c1-2-35-27(34)25-22(17-23(32)31(30-25)21-15-13-20(28)14-16-21)29-26(33)24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,24H,2H2,1H3,(H,29,33)