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

Systemtic Name: 2-azanyl-1-(3-chloranyl-4-fluoranyl-phenyl)-N-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(3-chloro-4-fluoro-phenyl)-N-isobutyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(3-chloro-4-fluoro-phenyl)-N-isobutyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C21H19ClFN5O MolecularWeight: 411.859863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)F)Cl)N

Isomeric SMILES

CC(C)CNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)F)Cl)N

InChI

InChI=1S/C21H19ClFN5O/c1-11(2)10-25-21(29)17-18-20(27-16-6-4-3-5-15(16)26-18)28(19(17)24)12-7-8-14(23)13(22)9-12/h3-9,11H,10,24H2,1-2H3,(H,25,29)