N-[4-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)phenyl]-4-tert-butyl-benzamide

Systemtic Name: N-[4-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)phenyl]-4-tert-butyl-benzamide Openeye Name: N-[4-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)phenyl]-4-tert-butyl-benzamide CAS Name: N-[4-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)phenyl]-4-tert-butylbenzamide IUPAC Name: N-[4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)phenyl]-4-tert-butylbenzamide Traditional Name: N-[4-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)phenyl]-4-tert-butyl-benzamide Formula: C28H24N6O MolecularWeight: 460.52976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C(=C(C4=NC5=CC=CC=C5N=C43)C#N)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C(=C(C4=NC5=CC=CC=C5N=C43)C#N)N

InChI

InChI=1S/C28H24N6O/c1-28(2,3)18-10-8-17(9-11-18)27(35)31-19-12-14-20(15-13-19)34-25(30)21(16-29)24-26(34)33-23-7-5-4-6-22(23)32-24/h4-15H,30H2,1-3H3,(H,31,35)