2-(4-fluoranylphenoxy)ethyl 1-[6-(4-propan-2-ylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylate

Systemtic Name: 2-(4-fluoranylphenoxy)ethyl 1-[6-(4-propan-2-ylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylate Openeye Name: 2-(4-fluorophenoxy)ethyl 1-[6-(4-isopropylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(4-propan-2-ylphenyl)thio]-3-pyridazinyl]-4-piperidinecarboxylic acid 2-(4-fluorophenoxy)ethyl ester IUPAC Name: 2-(4-fluorophenoxy)ethyl 1-[6-(4-propan-2-ylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(p-cumenylthio)pyridazin-3-yl]isonipecotic acid 2-(4-fluorophenoxy)ethyl ester Formula: C27H30FN3O3S MolecularWeight: 495.608803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SC2=NN=C(C=C2)N3CCC(CC3)C(=O)OCCOC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC2=NN=C(C=C2)N3CCC(CC3)C(=O)OCCOC4=CC=C(C=C4)F

InChI

InChI=1S/C27H30FN3O3S/c1-19(2)20-3-9-24(10-4-20)35-26-12-11-25(29-30-26)31-15-13-21(14-16-31)27(32)34-18-17-33-23-7-5-22(28)6-8-23/h3-12,19,21H,13-18H2,1-2H3