2-[1-(2,2-dimethylpropyl)-4-[(6-fluoranylquinolin-2-yl)methyl]piperazin-2-yl]ethanol

Systemtic Name: 2-[1-(2,2-dimethylpropyl)-4-[(6-fluoranylquinolin-2-yl)methyl]piperazin-2-yl]ethanol Openeye Name: 2-[1-(2,2-dimethylpropyl)-4-[(6-fluoro-2-quinolyl)methyl]piperazin-2-yl]ethanol CAS Name: 2-[1-(2,2-dimethylpropyl)-4-[(6-fluoro-2-quinolinyl)methyl]-2-piperazinyl]ethanol IUPAC Name: 2-[1-(2,2-dimethylpropyl)-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol Traditional Name: 2-[4-[(6-fluoro-2-quinolyl)methyl]-1-neopentyl-piperazin-2-yl]ethanol Formula: C21H30FN3O MolecularWeight: 359.480803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCN(CC1CCO)CC2=NC3=C(C=C2)C=C(C=C3)F

Isomeric SMILES

CC(C)(C)CN1CCN(CC1CCO)CC2=NC3=C(C=C2)C=C(C=C3)F

InChI

InChI=1S/C21H30FN3O/c1-21(2,3)15-25-10-9-24(14-19(25)8-11-26)13-18-6-4-16-12-17(22)5-7-20(16)23-18/h4-7,12,19,26H,8-11,13-15H2,1-3H3