ethyl 6-(4-fluorophenyl)-2-piperidin-4-yl-3-pyridazin-3-yl-benzenecarboperoxoate

Systemtic Name: ethyl 6-(4-fluorophenyl)-2-piperidin-4-yl-3-pyridazin-3-yl-benzenecarboperoxoate Openeye Name: ethyl 6-(4-fluorophenyl)-2-(4-piperidyl)-3-pyridazin-3-yl-benzenecarboperoxoate CAS Name: 6-(4-fluorophenyl)-2-(4-piperidinyl)-3-(3-pyridazinyl)benzenecarboperoxoic acid ethyl ester IUPAC Name: ethyl 6-(4-fluorophenyl)-2-piperidin-4-yl-3-pyridazin-3-ylbenzenecarboperoxoate Traditional Name: 6-(4-fluorophenyl)-2-(4-piperidyl)-3-pyridazin-3-yl-benzenecarboperoxoic acid ethyl ester Formula: C24H24FN3O3 MolecularWeight: 421.464063

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Descriptors Computed from Structure

Canonical SMILES:

CCOOC(=O)C1=C(C=CC(=C1C2CCNCC2)C3=NN=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOOC(=O)C1=C(C=CC(=C1C2CCNCC2)C3=NN=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H24FN3O3/c1-2-30-31-24(29)23-19(16-5-7-18(25)8-6-16)9-10-20(21-4-3-13-27-28-21)22(23)17-11-14-26-15-12-17/h3-10,13,17,26H,2,11-12,14-15H2,1H3