diethyl 5-[[1-(6-chloranylpyridazin-3-yl)piperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[[1-(6-chloranylpyridazin-3-yl)piperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(6-chloropyridazin-3-yl)isonipecotoyl]amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C22H25ClN4O5 MolecularWeight: 460.9107

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O5/c1-3-31-21(29)15-11-16(22(30)32-4-2)13-17(12-15)24-20(28)14-7-9-27(10-8-14)19-6-5-18(23)25-26-19/h5-6,11-14H,3-4,7-10H2,1-2H3,(H,24,28)