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

Systemtic Name: ethyl 1-[5-chloranyl-1-(4-ethoxycarbonylphenyl)-6-oxidanylidene-pyridazin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-chloro-1-(4-ethoxycarbonylphenyl)-6-oxo-pyridazin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-chloro-1-(4-ethoxycarbonylphenyl)-6-oxo-4-pyridazinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-chloro-1-(4-ethoxycarbonylphenyl)-6-oxopyridazin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[1-(4-carbethoxyphenyl)-5-chloro-6-keto-pyridazin-4-yl]isonipecotic acid ethyl ester Formula: C21H24ClN3O5 MolecularWeight: 433.88536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O5/c1-3-29-20(27)14-5-7-16(8-6-14)25-19(26)18(22)17(13-23-25)24-11-9-15(10-12-24)21(28)30-4-2/h5-8,13,15H,3-4,9-12H2,1-2H3