ethyl 1-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperidine-4-carboxylate CAS Name: 1-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)isonipecotic acid ethyl ester Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

InChI

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