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

Systemtic Name: 3-bromanyl-N-[3-cyano-1-(phenylmethyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Openeye Name: N-(1-benzyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-3-bromo-benzamide CAS Name: 3-bromo-N-[3-cyano-1-(phenylmethyl)-2-pyrrolo[3,2-b]quinoxalinyl]benzamide IUPAC Name: N-(1-benzyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)-3-bromobenzamide Traditional Name: N-(1-benzyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-3-bromo-benzamide Formula: C25H16BrN5O MolecularWeight: 482.33144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)NC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)NC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C25H16BrN5O/c26-18-10-6-9-17(13-18)25(32)30-23-19(14-27)22-24(29-21-12-5-4-11-20(21)28-22)31(23)15-16-7-2-1-3-8-16/h1-13H,15H2,(H,30,32)