N-[(2S,3R)-1-[3,5-bis(fluoranyl)phenyl]-3-oxidanyl-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-yl]-7-fluoranyl-2-heptan-4-yl-1-oxidanylidene-3,4-dihydroisoquinoline-5-carboxamide

Systemtic Name: N-[(2S,3R)-1-[3,5-bis(fluoranyl)phenyl]-3-oxidanyl-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-yl]-7-fluoranyl-2-heptan-4-yl-1-oxidanylidene-3,4-dihydroisoquinoline-5-carboxamide Openeye Name: N-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]-7-fluoro-1-oxo-2-(1-propylbutyl)-3,4-dihydroisoquinoline-5-carboxamide CAS Name: N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-yl]-7-fluoro-2-heptan-4-yl-1-oxo-3,4-dihydroisoquinoline-5-carboxamide IUPAC Name: N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-yl]-7-fluoro-2-heptan-4-yl-1-oxo-3,4-dihydroisoquinoline-5-carboxamide Traditional Name: N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]-7-fluoro-1-keto-2-(1-propylbutyl)-3,4-dihydroisoquinoline-5-carboxamide Formula: C37H41F6N3O3 MolecularWeight: 689.730159

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1CCC2=C(C=C(C=C2C1=O)F)C(=O)NC(CC3=CC(=CC(=C3)F)F)C(CNC4(CC4)C5=CC(=CC=C5)C(F)(F)F)O

Isomeric SMILES

CCCC(CCC)N1CCC2=C(C=C(C=C2C1=O)F)C(=O)N[C@@H](CC3=CC(=CC(=C3)F)F)[C@@H](CNC4(CC4)C5=CC(=CC=C5)C(F)(F)F)O

InChI

InChI=1S/C37H41F6N3O3/c1-3-6-28(7-4-2)46-13-10-29-30(19-27(40)20-31(29)35(46)49)34(48)45-32(16-22-14-25(38)18-26(39)15-22)33(47)21-44-36(11-12-36)23-8-5-9-24(17-23)37(41,42)43/h5,8-9,14-15,17-20,28,32-33,44,47H,3-4,6-7,10-13,16,21H2,1-2H3,(H,45,48)/t32-,33+/m0/s1