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

Systemtic Name: methyl 2-[[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]benzoate CAS Name: 2-[[[1-[6-(2-methoxyphenyl)-3-pyridazinyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-[6-(2-methoxyphenyl)pyridazin-3-yl]isonipecotoyl]amino]benzoic acid methyl ester Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(C=C2)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(C=C2)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H26N4O4/c1-32-22-10-6-4-7-18(22)21-11-12-23(28-27-21)29-15-13-17(14-16-29)24(30)26-20-9-5-3-8-19(20)25(31)33-2/h3-12,17H,13-16H2,1-2H3,(H,26,30)