ethyl 4-[1-[(3-fluorophenyl)methyl]-6-oxidanylidene-pyridazin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[(3-fluorophenyl)methyl]-6-oxidanylidene-pyridazin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(3-fluorophenyl)methyl]-6-oxo-pyridazine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridazinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-fluorobenzyl)-6-keto-pyridazine-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H21FN4O4 MolecularWeight: 388.392843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C19H21FN4O4/c1-2-28-19(27)23-10-8-22(9-11-23)18(26)16-6-7-17(25)24(21-16)13-14-4-3-5-15(20)12-14/h3-7,12H,2,8-11,13H2,1H3