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

Systemtic Name: (4-tert-butylphenyl)methyl 1-(6-chloranylpyridazin-3-yl)piperidine-4-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 1-(6-chloropyridazin-3-yl)piperidine-4-carboxylate CAS Name: 1-(6-chloro-3-pyridazinyl)-4-piperidinecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 1-(6-chloropyridazin-3-yl)piperidine-4-carboxylate Traditional Name: 1-(6-chloropyridazin-3-yl)isonipecotic acid (4-tert-butylbenzyl) ester Formula: C21H26ClN3O2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2CCN(CC2)C3=NN=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2CCN(CC2)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O2/c1-21(2,3)17-6-4-15(5-7-17)14-27-20(26)16-10-12-25(13-11-16)19-9-8-18(22)23-24-19/h4-9,16H,10-14H2,1-3H3