2-[(2,2-dicyclopropyl-2-oxidanyl-ethyl)amino]-1-[6-fluoranyl-1-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Systemtic Name: 2-[(2,2-dicyclopropyl-2-oxidanyl-ethyl)amino]-1-[6-fluoranyl-1-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Openeye Name: 2-[(2,2-dicyclopropyl-2-hydroxy-ethyl)amino]-1-[6-fluoro-1-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 2-[(2,2-dicyclopropyl-2-hydroxyethyl)amino]-1-[6-fluoro-1-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone IUPAC Name: 2-[(2,2-dicyclopropyl-2-hydroxyethyl)amino]-1-[6-fluoro-1-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 2-[(2,2-dicyclopropyl-2-hydroxy-ethyl)amino]-1-[6-fluoro-1-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C21H29FN2O3 MolecularWeight: 376.464963

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Descriptors Computed from Structure

Canonical SMILES:

COCC1C2=C(CCN1C(=O)CNCC(C3CC3)(C4CC4)O)C=C(C=C2)F

Isomeric SMILES

COCC1C2=C(CCN1C(=O)CNCC(C3CC3)(C4CC4)O)C=C(C=C2)F

InChI

InChI=1S/C21H29FN2O3/c1-27-12-19-18-7-6-17(22)10-14(18)8-9-24(19)20(25)11-23-13-21(26,15-2-3-15)16-4-5-16/h6-7,10,15-16,19,23,26H,2-5,8-9,11-13H2,1H3