ethyl 1-(4-fluorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(4-fluorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-(4-fluorophenyl)-4-[(3S)-3-methyl-1-piperidyl]-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4-[(3S)-3-methyl-1-piperidinyl]-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]-6-oxopyridazine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-6-keto-4-[(3S)-3-methylpiperidino]pyridazine-3-carboxylic acid ethyl ester Formula: C19H22FN3O3 MolecularWeight: 359.394683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1N2CCCC(C2)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1N2CCC[C@@H](C2)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FN3O3/c1-3-26-19(25)18-16(22-10-4-5-13(2)12-22)11-17(24)23(21-18)15-8-6-14(20)7-9-15/h6-9,11,13H,3-5,10,12H2,1-2H3/t13-/m0/s1