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

Systemtic Name: [1-(6-chloranylpyridazin-3-yl)piperidin-3-yl] 2-ethoxybenzoate Openeye Name: [1-(6-chloropyridazin-3-yl)-3-piperidyl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [1-(6-chloro-3-pyridazinyl)-3-piperidinyl] ester IUPAC Name: [1-(6-chloropyridazin-3-yl)piperidin-3-yl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [1-(6-chloropyridazin-3-yl)-3-piperidyl] ester Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OC2CCCN(C2)C3=NN=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OC2CCCN(C2)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3O3/c1-2-24-15-8-4-3-7-14(15)18(23)25-13-6-5-11-22(12-13)17-10-9-16(19)20-21-17/h3-4,7-10,13H,2,5-6,11-12H2,1H3