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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CCCCC(CC)CN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H26BrN5O/c1-3-5-9-17(4-2)16-32-24(31-26(33)18-10-8-11-19(27)14-18)20(15-28)23-25(32)30-22-13-7-6-12-21(22)29-23/h6-8,10-14,17H,3-5,9,16H2,1-2H3,(H,31,33)