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

Systemtic Name: methyl 3-[[1-(6-chloranylpyridazin-3-yl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(6-chloropyridazin-3-yl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C18H19ClN4O3 MolecularWeight: 374.82146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O3/c1-26-18(25)13-3-2-4-14(11-13)20-17(24)12-7-9-23(10-8-12)16-6-5-15(19)21-22-16/h2-6,11-12H,7-10H2,1H3,(H,20,24)