methyl 4-[[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-[6-(2-furyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[6-(2-furanyl)-3-pyridazinyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-[6-(2-furyl)pyridazin-3-yl]isonipecotoyl]amino]benzoic acid methyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C22H22N4O4/c1-29-22(28)16-4-6-17(7-5-16)23-21(27)15-10-12-26(13-11-15)20-9-8-18(24-25-20)19-3-2-14-30-19/h2-9,14-15H,10-13H2,1H3,(H,23,27)