3-bromanyl-N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide

Systemtic Name: 3-bromanyl-N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide Openeye Name: 3-bromo-N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide CAS Name: 3-bromo-N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]quinoxalinyl)benzamide IUPAC Name: 3-bromo-N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)benzamide Traditional Name: 3-bromo-N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide Formula: C22H18BrN5O MolecularWeight: 448.31522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H18BrN5O/c1-2-3-11-28-20(27-22(29)14-7-6-8-15(23)12-14)16(13-24)19-21(28)26-18-10-5-4-9-17(18)25-19/h4-10,12H,2-3,11H2,1H3,(H,27,29)