ethyl 4-[3-[1-(6-bromanylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoate

Systemtic Name: ethyl 4-[3-[1-(6-bromanylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoate Openeye Name: ethyl 4-[3-[1-(6-bromopyridazin-3-yl)-4-piperidyl]propoxy]benzoate CAS Name: 4-[3-[1-(6-bromo-3-pyridazinyl)-4-piperidinyl]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[1-(6-bromopyridazin-3-yl)piperidin-4-yl]propoxy]benzoate Traditional Name: 4-[3-[1-(6-bromopyridazin-3-yl)-4-piperidyl]propoxy]benzoic acid ethyl ester Formula: C21H26BrN3O3 MolecularWeight: 448.35344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCCCC2CCN(CC2)C3=NN=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCCCC2CCN(CC2)C3=NN=C(C=C3)Br

InChI

InChI=1S/C21H26BrN3O3/c1-2-27-21(26)17-5-7-18(8-6-17)28-15-3-4-16-11-13-25(14-12-16)20-10-9-19(22)23-24-20/h5-10,16H,2-4,11-15H2,1H3