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

Systemtic Name: propyl 4-[[1-(6-chloranylpyridazin-3-yl)piperidin-3-yl]carbonylamino]benzoate Openeye Name: propyl 4-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-(6-chloro-3-pyridazinyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(6-chloropyridazin-3-yl)nipecotoyl]amino]benzoic acid propyl ester Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O3/c1-2-12-28-20(27)14-5-7-16(8-6-14)22-19(26)15-4-3-11-25(13-15)18-10-9-17(21)23-24-18/h5-10,15H,2-4,11-13H2,1H3,(H,22,26)