butyl 4-[[1-(6-chloranylpyridazin-3-yl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[1-(6-chloranylpyridazin-3-yl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(6-chloropyridazin-3-yl)isonipecotoyl]amino]benzoic acid butyl ester Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3/c1-2-3-14-29-21(28)16-4-6-17(7-5-16)23-20(27)15-10-12-26(13-11-15)19-9-8-18(22)24-25-19/h4-9,15H,2-3,10-14H2,1H3,(H,23,27)