[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(6-chloranylpyridazin-3-yl)piperidine-4-carboxylate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(6-chloranylpyridazin-3-yl)piperidine-4-carboxylate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 1-(6-chloropyridazin-3-yl)piperidine-4-carboxylate CAS Name: 1-(6-chloro-3-pyridazinyl)-4-piperidinecarboxylic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 1-(6-chloropyridazin-3-yl)piperidine-4-carboxylate Traditional Name: 1-(6-chloropyridazin-3-yl)isonipecotic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C19H20ClFN4O3 MolecularWeight: 406.838503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C3=NN=C(C=C3)Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C3=NN=C(C=C3)Cl)F

InChI

InChI=1S/C19H20ClFN4O3/c1-12-2-3-14(10-15(12)21)22-18(26)11-28-19(27)13-6-8-25(9-7-13)17-5-4-16(20)23-24-17/h2-5,10,13H,6-9,11H2,1H3,(H,22,26)