ethyl 4-[2-[1-(6-chloranyl-4,5-dimethyl-pyridazin-3-yl)piperidin-4-yl]ethoxy]benzoate

Systemtic Name: ethyl 4-[2-[1-(6-chloranyl-4,5-dimethyl-pyridazin-3-yl)piperidin-4-yl]ethoxy]benzoate Openeye Name: ethyl 4-[2-[1-(6-chloro-4,5-dimethyl-pyridazin-3-yl)-4-piperidyl]ethoxy]benzoate CAS Name: 4-[2-[1-(6-chloro-4,5-dimethyl-3-pyridazinyl)-4-piperidinyl]ethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(6-chloro-4,5-dimethylpyridazin-3-yl)piperidin-4-yl]ethoxy]benzoate Traditional Name: 4-[2-[1-(6-chloro-4,5-dimethyl-pyridazin-3-yl)-4-piperidyl]ethoxy]benzoic acid ethyl ester Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C(=C3C)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C(=C3C)C)Cl

InChI

InChI=1S/C22H28ClN3O3/c1-4-28-22(27)18-5-7-19(8-6-18)29-14-11-17-9-12-26(13-10-17)21-16(3)15(2)20(23)24-25-21/h5-8,17H,4,9-14H2,1-3H3