N-[(5S)-5-azanyl-6-(3-fluoranylazetidin-1-yl)-6-oxidanylidene-hexyl]quinoxaline-2-carboxamide

Systemtic Name: N-[(5S)-5-azanyl-6-(3-fluoranylazetidin-1-yl)-6-oxidanylidene-hexyl]quinoxaline-2-carboxamide Openeye Name: N-[(5S)-5-amino-6-(3-fluoroazetidin-1-yl)-6-oxo-hexyl]quinoxaline-2-carboxamide CAS Name: N-[(5S)-5-amino-6-(3-fluoro-1-azetidinyl)-6-oxohexyl]-2-quinoxalinecarboxamide IUPAC Name: N-[(5S)-5-amino-6-(3-fluoroazetidin-1-yl)-6-oxohexyl]quinoxaline-2-carboxamide Traditional Name: N-[(5S)-5-amino-6-(3-fluoroazetidin-1-yl)-6-keto-hexyl]quinoxaline-2-carboxamide Formula: C18H22FN5O2 MolecularWeight: 359.397983

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C(=O)C(CCCCNC(=O)C2=NC3=CC=CC=C3N=C2)N)F

Isomeric SMILES

C1C(CN1C(=O)[C@H](CCCCNC(=O)C2=NC3=CC=CC=C3N=C2)N)F

InChI

InChI=1S/C18H22FN5O2/c19-12-10-24(11-12)18(26)13(20)5-3-4-8-21-17(25)16-9-22-14-6-1-2-7-15(14)23-16/h1-2,6-7,9,12-13H,3-5,8,10-11,20H2,(H,21,25)/t13-/m0/s1