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

Systemtic Name: dimethyl 5-[[1-(6-chloranylpyridazin-3-yl)piperidin-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-(6-chloro-3-pyridazinyl)-3-piperidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(6-chloropyridazin-3-yl)nipecotoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H21ClN4O5 MolecularWeight: 432.85754

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O5/c1-29-19(27)13-8-14(20(28)30-2)10-15(9-13)22-18(26)12-4-3-7-25(11-12)17-6-5-16(21)23-24-17/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,22,26)