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

Systemtic Name: 3-bromanyl-N-(3-cyano-1-octan-3-yl-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide Openeye Name: 3-bromo-N-[3-cyano-1-(1-ethylhexyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide CAS Name: 3-bromo-N-(3-cyano-1-octan-3-yl-2-pyrrolo[3,2-b]quinoxalinyl)benzamide IUPAC Name: 3-bromo-N-(3-cyano-1-octan-3-ylpyrrolo[3,2-b]quinoxalin-2-yl)benzamide Traditional Name: 3-bromo-N-[3-cyano-1-(1-ethylhexyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Formula: C26H26BrN5O MolecularWeight: 504.42154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)N1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CCCCCC(CC)N1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H26BrN5O/c1-3-5-6-12-19(4-2)32-24(31-26(33)17-10-9-11-18(27)15-17)20(16-28)23-25(32)30-22-14-8-7-13-21(22)29-23/h7-11,13-15,19H,3-6,12H2,1-2H3,(H,31,33)