N-[(2S,3R)-1-[3,5-bis(fluoranyl)phenyl]-3-oxidanyl-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-yl]-7-(2-cyanophenyl)-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-(2-cyanophenyl)-2-heptan-4-yl-1-oxidanylidene-3,4-dihydroisoquinoline-5-carboxamide Openeye Name: 7-(2-cyanophenyl)-N-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]-1-oxo-2-(1-propylbutyl)-3,4-dihydroisoquinoline-5-carboxamide CAS Name: 7-(2-cyanophenyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-yl]-2-heptan-4-yl-1-oxo-3,4-dihydroisoquinoline-5-carboxamide IUPAC Name: 7-(2-cyanophenyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-yl]-2-heptan-4-yl-1-oxo-3,4-dihydroisoquinoline-5-carboxamide Traditional Name: 7-(2-cyanophenyl)-N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]-1-keto-2-(1-propylbutyl)-3,4-dihydroisoquinoline-5-carboxamide Formula: C44H45F5N4O3 MolecularWeight: 772.845116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1CCC2=C(C1=O)C=C(C=C2C(=O)NC(CC3=CC(=CC(=C3)F)F)C(CNC4(CC4)C5=CC(=CC=C5)C(F)(F)F)O)C6=CC=CC=C6C#N

Isomeric SMILES

CCCC(CCC)N1CCC2=C(C1=O)C=C(C=C2C(=O)N[C@@H](CC3=CC(=CC(=C3)F)F)[C@@H](CNC4(CC4)C5=CC(=CC=C5)C(F)(F)F)O)C6=CC=CC=C6C#N

InChI

InChI=1S/C44H45F5N4O3/c1-3-8-34(9-4-2)53-17-14-36-37(21-29(22-38(36)42(53)56)35-13-6-5-10-28(35)25-50)41(55)52-39(20-27-18-32(45)24-33(46)19-27)40(54)26-51-43(15-16-43)30-11-7-12-31(23-30)44(47,48)49/h5-7,10-13,18-19,21-24,34,39-40,51,54H,3-4,8-9,14-17,20,26H2,1-2H3,(H,52,55)/t39-,40+/m0/s1