4-(2-hydroxyethyl)-5-methyl-2-phenyl-1-[[2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]pyrazol-3-one

Systemtic Name: 4-(2-hydroxyethyl)-5-methyl-2-phenyl-1-[[2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]pyrazol-3-one Openeye Name: 4-(2-hydroxyethyl)-5-methyl-2-phenyl-1-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]pyrazol-3-one CAS Name: 4-(2-hydroxyethyl)-5-methyl-2-phenyl-1-[[2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]-3-pyrazolone IUPAC Name: 4-(2-hydroxyethyl)-5-methyl-2-phenyl-1-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]pyrazol-3-one Traditional Name: 4-(2-hydroxyethyl)-5-methyl-2-phenyl-1-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]-3-pyrazolin-3-one Formula: C23H22F3N3O5S MolecularWeight: 509.49809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1S(=O)(=O)C2=CC3=C(CCN(C3)C(=O)C(F)(F)F)C=C2)C4=CC=CC=C4)CCO

Isomeric SMILES

CC1=C(C(=O)N(N1S(=O)(=O)C2=CC3=C(CCN(C3)C(=O)C(F)(F)F)C=C2)C4=CC=CC=C4)CCO

InChI

InChI=1S/C23H22F3N3O5S/c1-15-20(10-12-30)21(31)28(18-5-3-2-4-6-18)29(15)35(33,34)19-8-7-16-9-11-27(14-17(16)13-19)22(32)23(24,25)26/h2-8,13,30H,9-12,14H2,1H3