[1-(6-bromanylpyridazin-3-yl)piperidin-4-yl] 2-ethoxybenzoate

Systemtic Name: [1-(6-bromanylpyridazin-3-yl)piperidin-4-yl] 2-ethoxybenzoate Openeye Name: [1-(6-bromopyridazin-3-yl)-4-piperidyl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [1-(6-bromo-3-pyridazinyl)-4-piperidinyl] ester IUPAC Name: [1-(6-bromopyridazin-3-yl)piperidin-4-yl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [1-(6-bromopyridazin-3-yl)-4-piperidyl] ester Formula: C18H20BrN3O3 MolecularWeight: 406.2737

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OC2CCN(CC2)C3=NN=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OC2CCN(CC2)C3=NN=C(C=C3)Br

InChI

InChI=1S/C18H20BrN3O3/c1-2-24-15-6-4-3-5-14(15)18(23)25-13-9-11-22(12-10-13)17-8-7-16(19)20-21-17/h3-8,13H,2,9-12H2,1H3