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

Systemtic Name: 3-bromanyl-N-[3-cyano-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Openeye Name: 3-bromo-N-[3-cyano-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide CAS Name: 3-bromo-N-[3-cyano-1-(1-phenylethyl)-2-pyrrolo[3,2-b]quinoxalinyl]benzamide IUPAC Name: 3-bromo-N-[3-cyano-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Traditional Name: 3-bromo-N-[3-cyano-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Formula: C26H18BrN5O MolecularWeight: 496.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)NC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)NC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C26H18BrN5O/c1-16(17-8-3-2-4-9-17)32-24(31-26(33)18-10-7-11-19(27)14-18)20(15-28)23-25(32)30-22-13-6-5-12-21(22)29-23/h2-14,16H,1H3,(H,31,33)