methyl 3-[[1-(6-chloranylpyridazin-3-yl)piperidin-4-yl]carbonylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[[1-(6-chloranylpyridazin-3-yl)piperidin-4-yl]carbonylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]-4-fluoro-benzoate CAS Name: 3-[[[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]-oxomethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]-4-fluorobenzoate Traditional Name: 3-[[1-(6-chloropyridazin-3-yl)isonipecotoyl]amino]-4-fluoro-benzoic acid methyl ester Formula: C18H18ClFN4O3 MolecularWeight: 392.811923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClFN4O3/c1-27-18(26)12-2-3-13(20)14(10-12)21-17(25)11-6-8-24(9-7-11)16-5-4-15(19)22-23-16/h2-5,10-11H,6-9H2,1H3,(H,21,25)