ethyl 2-[[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-[6-(2-thienyl)pyridazin-3-yl]isonipecotoyl]amino]benzoic acid ethyl ester Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C23H24N4O3S/c1-2-30-23(29)17-6-3-4-7-18(17)24-22(28)16-11-13-27(14-12-16)21-10-9-19(25-26-21)20-8-5-15-31-20/h3-10,15-16H,2,11-14H2,1H3,(H,24,28)