2-azanyl-1-(4-fluoranyl-3-nitro-phenyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(4-fluoranyl-3-nitro-phenyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-fluoro-3-nitro-phenyl)-N-isopentyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-fluoro-3-nitrophenyl)-N-(3-methylbutyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-fluoro-3-nitrophenyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-fluoro-3-nitro-phenyl)-N-isoamyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C22H21FN6O3 MolecularWeight: 436.438943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)F)[N+](=O)[O-])N

Isomeric SMILES

CC(C)CCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)F)[N+](=O)[O-])N

InChI

InChI=1S/C22H21FN6O3/c1-12(2)9-10-25-22(30)18-19-21(27-16-6-4-3-5-15(16)26-19)28(20(18)24)13-7-8-14(23)17(11-13)29(31)32/h3-8,11-12H,9-10,24H2,1-2H3,(H,25,30)