[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-yl-cyclopentyl]-[4-oxidanyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

Systemtic Name: [(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-yl-cyclopentyl]-[4-oxidanyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Openeye Name: [4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(1S,3R)-1-isopropyl-3-(tetrahydropyran-4-ylamino)cyclopentyl]methanone CAS Name: [4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(1S,3R)-3-(4-oxanylamino)-1-propan-2-ylcyclopentyl]methanone IUPAC Name: [4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone Traditional Name: [4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(1S,3R)-1-isopropyl-3-(tetrahydropyran-4-ylamino)cyclopentyl]methanone Formula: C24H33F3N2O3 MolecularWeight: 454.52563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCC(C1)NC2CCOCC2)C(=O)N3CC(C4=C(C3)C=C(C=C4)C(F)(F)F)O

Isomeric SMILES

CC(C)[C@@]1(CC[C@H](C1)NC2CCOCC2)C(=O)N3CC(C4=C(C3)C=C(C=C4)C(F)(F)F)O

InChI

InChI=1S/C24H33F3N2O3/c1-15(2)23(8-5-19(12-23)28-18-6-9-32-10-7-18)22(31)29-13-16-11-17(24(25,26)27)3-4-20(16)21(30)14-29/h3-4,11,15,18-19,21,28,30H,5-10,12-14H2,1-2H3/t19-,21?,23+/m1/s1