ethyl 1-[5-chloranyl-6-oxidanylidene-1-(phenylmethyl)pyridazin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-chloranyl-6-oxidanylidene-1-(phenylmethyl)pyridazin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-(1-benzyl-5-chloro-6-oxo-pyridazin-4-yl)piperidine-4-carboxylate CAS Name: 1-[5-chloro-6-oxo-1-(phenylmethyl)-4-pyridazinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(1-benzyl-5-chloro-6-keto-pyridazin-4-yl)isonipecotic acid ethyl ester Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H22ClN3O3/c1-2-26-19(25)15-8-10-22(11-9-15)16-12-21-23(18(24)17(16)20)13-14-6-4-3-5-7-14/h3-7,12,15H,2,8-11,13H2,1H3