(3-fluoranyl-4-methoxy-phenyl)methyl 1-[6-(4-propan-2-ylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 1-[6-(4-propan-2-ylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 1-[6-(4-isopropylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(4-propan-2-ylphenyl)thio]-3-pyridazinyl]-4-piperidinecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 1-[6-(4-propan-2-ylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(p-cumenylthio)pyridazin-3-yl]isonipecotic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C27H30FN3O3S MolecularWeight: 495.608803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SC2=NN=C(C=C2)N3CCC(CC3)C(=O)OCC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC2=NN=C(C=C2)N3CCC(CC3)C(=O)OCC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C27H30FN3O3S/c1-18(2)20-5-7-22(8-6-20)35-26-11-10-25(29-30-26)31-14-12-21(13-15-31)27(32)34-17-19-4-9-24(33-3)23(28)16-19/h4-11,16,18,21H,12-15,17H2,1-3H3