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

Systemtic Name: N-[2-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromanyl-benzamide Openeye Name: N-[2-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromo-benzamide CAS Name: N-[2-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)ethyl]-3-bromobenzamide IUPAC Name: N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide Traditional Name: N-[2-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromo-benzamide Formula: C20H15BrN6O MolecularWeight: 435.2767

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCNC(=O)C4=CC(=CC=C4)Br)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCNC(=O)C4=CC(=CC=C4)Br)N)C#N

InChI

InChI=1S/C20H15BrN6O/c21-13-5-3-4-12(10-13)20(28)24-8-9-27-18(23)14(11-22)17-19(27)26-16-7-2-1-6-15(16)25-17/h1-7,10H,8-9,23H2,(H,24,28)