N-[(2S,3S,5R)-5-(5-chloranyl-1H-imidazol-2-yl)-8-fluoranyl-8-methyl-3-oxidanyl-1-phenyl-nonan-2-yl]quinoxaline-2-carboxamide

Systemtic Name: N-[(2S,3S,5R)-5-(5-chloranyl-1H-imidazol-2-yl)-8-fluoranyl-8-methyl-3-oxidanyl-1-phenyl-nonan-2-yl]quinoxaline-2-carboxamide Openeye Name: N-[(1S,2S,4R)-1-benzyl-4-(5-chloro-1H-imidazol-2-yl)-7-fluoro-2-hydroxy-7-methyl-octyl]quinoxaline-2-carboxamide CAS Name: N-[(2S,3S,5R)-5-(5-chloro-1H-imidazol-2-yl)-8-fluoro-3-hydroxy-8-methyl-1-phenylnonan-2-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[(2S,3S,5R)-5-(5-chloro-1H-imidazol-2-yl)-8-fluoro-3-hydroxy-8-methyl-1-phenylnonan-2-yl]quinoxaline-2-carboxamide Traditional Name: N-[(1S,2S,4R)-1-benzyl-4-(5-chloro-1H-imidazol-2-yl)-7-fluoro-2-hydroxy-7-methyl-octyl]quinoxaline-2-carboxamide Formula: C28H31ClFN5O2 MolecularWeight: 524.029443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(CC(C(CC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C4=NC=C(N4)Cl)F

Isomeric SMILES

CC(C)(CC[C@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C4=NC=C(N4)Cl)F

InChI

InChI=1S/C28H31ClFN5O2/c1-28(2,30)13-12-19(26-32-17-25(29)35-26)15-24(36)22(14-18-8-4-3-5-9-18)34-27(37)23-16-31-20-10-6-7-11-21(20)33-23/h3-11,16-17,19,22,24,36H,12-15H2,1-2H3,(H,32,35)(H,34,37)/t19-,22+,24+/m1/s1