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

Systemtic Name: 2-azanyl-1-(3-chloranyl-4-fluoranyl-phenyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(3-chloro-4-fluoro-phenyl)-N-isopentyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(3-chloro-4-fluorophenyl)-N-(3-methylbutyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(3-chloro-4-fluorophenyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(3-chloro-4-fluoro-phenyl)-N-isoamyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C22H21ClFN5O MolecularWeight: 425.886443

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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)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClFN5O/c1-12(2)9-10-26-22(30)18-19-21(28-17-6-4-3-5-16(17)27-19)29(20(18)25)13-7-8-15(24)14(23)11-13/h3-8,11-12H,9-10,25H2,1-2H3,(H,26,30)