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

Systemtic Name: ethyl 4-(3,3-diphenylpropylamino)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(3,3-diphenylpropylamino)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-(3,3-diphenylpropylamino)-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,3-diphenylpropylamino)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(3,3-diphenylpropylamino)-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C28H26FN3O3 MolecularWeight: 471.522743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H26FN3O3/c1-2-35-28(34)27-25(19-26(33)32(31-27)23-15-13-22(29)14-16-23)30-18-17-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,19,24,30H,2,17-18H2,1H3