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

Systemtic Name: methyl 3-[[1-(6-chloranylpyridazin-3-yl)piperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]benzoate CAS Name: 3-[[[1-(6-chloro-3-pyridazinyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 3-[[1-(6-chloropyridazin-3-yl)nipecotoyl]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)C2CCCN(C2)C3=NN=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl

InChI

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