3-bromanyl-N-[3-cyano-1-(4-methylphenyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide

Systemtic Name: 3-bromanyl-N-[3-cyano-1-(4-methylphenyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Openeye Name: 3-bromo-N-[3-cyano-1-(p-tolyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide CAS Name: 3-bromo-N-[3-cyano-1-(4-methylphenyl)-2-pyrrolo[3,2-b]quinoxalinyl]benzamide IUPAC Name: 3-bromo-N-[3-cyano-1-(4-methylphenyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Traditional Name: 3-bromo-N-[3-cyano-1-(p-tolyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Formula: C25H16BrN5O MolecularWeight: 482.33144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)NC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)NC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C25H16BrN5O/c1-15-9-11-18(12-10-15)31-23(30-25(32)16-5-4-6-17(26)13-16)19(14-27)22-24(31)29-21-8-3-2-7-20(21)28-22/h2-13H,1H3,(H,30,32)