N-[(5S)-5-azanyl-6-[3,3-bis(fluoranyl)azetidin-1-yl]-6-oxidanylidene-hexyl]-3-methyl-quinoxaline-2-carboxamide

Systemtic Name: N-[(5S)-5-azanyl-6-[3,3-bis(fluoranyl)azetidin-1-yl]-6-oxidanylidene-hexyl]-3-methyl-quinoxaline-2-carboxamide Openeye Name: N-[(5S)-5-amino-6-(3,3-difluoroazetidin-1-yl)-6-oxo-hexyl]-3-methyl-quinoxaline-2-carboxamide CAS Name: N-[(5S)-5-amino-6-(3,3-difluoro-1-azetidinyl)-6-oxohexyl]-3-methyl-2-quinoxalinecarboxamide IUPAC Name: N-[(5S)-5-amino-6-(3,3-difluoroazetidin-1-yl)-6-oxohexyl]-3-methylquinoxaline-2-carboxamide Traditional Name: N-[(5S)-5-amino-6-(3,3-difluoroazetidin-1-yl)-6-keto-hexyl]-3-methyl-quinoxaline-2-carboxamide Formula: C19H23F2N5O2 MolecularWeight: 391.415026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C(=O)NCCCCC(C(=O)N3CC(C3)(F)F)N

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C(=O)NCCCC[C@@H](C(=O)N3CC(C3)(F)F)N

InChI

InChI=1S/C19H23F2N5O2/c1-12-16(25-15-8-3-2-7-14(15)24-12)17(27)23-9-5-4-6-13(22)18(28)26-10-19(20,21)11-26/h2-3,7-8,13H,4-6,9-11,22H2,1H3,(H,23,27)/t13-/m0/s1