(4-cyanophenyl)methyl 1-(6-chloranylpyridazin-3-yl)piperidine-4-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 1-(6-chloranylpyridazin-3-yl)piperidine-4-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-(6-chloropyridazin-3-yl)piperidine-4-carboxylate CAS Name: 1-(6-chloro-3-pyridazinyl)-4-piperidinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-(6-chloropyridazin-3-yl)piperidine-4-carboxylate Traditional Name: 1-(6-chloropyridazin-3-yl)isonipecotic acid (4-cyanobenzyl) ester Formula: C18H17ClN4O2 MolecularWeight: 356.80618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)C#N)C3=NN=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)C#N)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN4O2/c19-16-5-6-17(22-21-16)23-9-7-15(8-10-23)18(24)25-12-14-3-1-13(11-20)2-4-14/h1-6,15H,7-10,12H2