N-[(5S)-5-azanyl-6-(3-fluoranylazetidin-1-yl)-6-oxidanylidene-hexyl]-6,7-dimethyl-quinoxaline-2-carboxamide

Systemtic Name: N-[(5S)-5-azanyl-6-(3-fluoranylazetidin-1-yl)-6-oxidanylidene-hexyl]-6,7-dimethyl-quinoxaline-2-carboxamide Openeye Name: N-[(5S)-5-amino-6-(3-fluoroazetidin-1-yl)-6-oxo-hexyl]-6,7-dimethyl-quinoxaline-2-carboxamide CAS Name: N-[(5S)-5-amino-6-(3-fluoro-1-azetidinyl)-6-oxohexyl]-6,7-dimethyl-2-quinoxalinecarboxamide IUPAC Name: N-[(5S)-5-amino-6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-6,7-dimethylquinoxaline-2-carboxamide Traditional Name: N-[(5S)-5-amino-6-(3-fluoroazetidin-1-yl)-6-keto-hexyl]-6,7-dimethyl-quinoxaline-2-carboxamide Formula: C20H26FN5O2 MolecularWeight: 387.451143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC=C(N=C2C=C1C)C(=O)NCCCCC(C(=O)N3CC(C3)F)N

Isomeric SMILES

CC1=CC2=NC=C(N=C2C=C1C)C(=O)NCCCC[C@@H](C(=O)N3CC(C3)F)N

InChI

InChI=1S/C20H26FN5O2/c1-12-7-16-17(8-13(12)2)25-18(9-24-16)19(27)23-6-4-3-5-15(22)20(28)26-10-14(21)11-26/h7-9,14-15H,3-6,10-11,22H2,1-2H3,(H,23,27)/t15-/m0/s1