ethyl 1-[4-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[[[6-(4-fluorophenyl)-3-pyridazinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[[[6-(4-fluorophenyl)pyridazin-3-yl]thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C26H26FN3O3S MolecularWeight: 479.566343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H26FN3O3S/c1-2-33-26(32)21-4-3-15-30(16-21)25(31)20-7-5-18(6-8-20)17-34-24-14-13-23(28-29-24)19-9-11-22(27)12-10-19/h5-14,21H,2-4,15-17H2,1H3