(5S,6R,8S)-8-ethyl-2-fluoranyl-5-[(2-methylquinazolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol

Systemtic Name: (5S,6R,8S)-8-ethyl-2-fluoranyl-5-[(2-methylquinazolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol Openeye Name: (1S,2R,4S)-4-ethyl-6-fluoro-1-[(2-methylquinazolin-5-yl)amino]-2-(trifluoromethyl)tetralin-2,5-diol CAS Name: (5S,6R,8S)-8-ethyl-2-fluoro-5-[(2-methyl-5-quinazolinyl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol IUPAC Name: (5S,6R,8S)-8-ethyl-2-fluoro-5-[(2-methylquinazolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol Traditional Name: (1S,2R,4S)-4-ethyl-6-fluoro-1-[(2-methylquinazolin-5-yl)amino]-2-(trifluoromethyl)tetralin-2,5-diol Formula: C22H21F4N3O2 MolecularWeight: 435.414653

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C(C2=C1C(=C(C=C2)F)O)NC3=CC=CC4=NC(=NC=C43)C)(C(F)(F)F)O

Isomeric SMILES

CC[C@H]1C[C@@]([C@H](C2=C1C(=C(C=C2)F)O)NC3=CC=CC4=NC(=NC=C43)C)(C(F)(F)F)O

InChI

InChI=1S/C22H21F4N3O2/c1-3-12-9-21(31,22(24,25)26)20(13-7-8-15(23)19(30)18(12)13)29-17-6-4-5-16-14(17)10-27-11(2)28-16/h4-8,10,12,20,29-31H,3,9H2,1-2H3/t12-,20-,21+/m0/s1