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

Systemtic Name: N-[2-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-bromanyl-benzamide Openeye Name: N-[2-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-bromo-benzamide CAS Name: N-[2-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)ethyl]-4-bromobenzamide IUPAC Name: N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-bromobenzamide Traditional Name: N-[2-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-bromo-benzamide Formula: C20H15BrN6O MolecularWeight: 435.2767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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