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

Systemtic Name: N-[(2S,3S)-5-(ethylcarbamoyl)-8-fluoranyl-8-methyl-3-oxidanyl-1-phenyl-nonan-2-yl]quinoxaline-2-carboxamide Openeye Name: N-[(1S,2S)-1-benzyl-4-(ethylcarbamoyl)-7-fluoro-2-hydroxy-7-methyl-octyl]quinoxaline-2-carboxamide CAS Name: N-[(2S,3S)-5-(ethylcarbamoyl)-8-fluoro-3-hydroxy-8-methyl-1-phenylnonan-2-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[(2S,3S)-5-(ethylcarbamoyl)-8-fluoro-3-hydroxy-8-methyl-1-phenylnonan-2-yl]quinoxaline-2-carboxamide Traditional Name: N-[(1S,2S)-1-benzyl-4-(ethylcarbamoyl)-7-fluoro-2-hydroxy-7-methyl-octyl]quinoxaline-2-carboxamide Formula: C28H35FN4O3 MolecularWeight: 494.600903

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(CCC(C)(C)F)CC(C(CC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3N=C2)O

Isomeric SMILES

CCNC(=O)C(CCC(C)(C)F)C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3N=C2)O

InChI

InChI=1S/C28H35FN4O3/c1-4-30-26(35)20(14-15-28(2,3)29)17-25(34)23(16-19-10-6-5-7-11-19)33-27(36)24-18-31-21-12-8-9-13-22(21)32-24/h5-13,18,20,23,25,34H,4,14-17H2,1-3H3,(H,30,35)(H,33,36)/t20?,23-,25-/m0/s1