2-azanyl-1-(4-bromanyl-3-methyl-phenyl)-N-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(4-bromanyl-3-methyl-phenyl)-N-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-bromo-3-methyl-phenyl)-N-[(1S)-1-methylpropyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-bromo-3-methylphenyl)-N-[(2S)-butan-2-yl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-bromo-3-methylphenyl)-N-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-bromo-3-methyl-phenyl)-N-[(1S)-1-methylpropyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C22H22BrN5O MolecularWeight: 452.34698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)Br)C)N

Isomeric SMILES

CC[C@H](C)NC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)Br)C)N

InChI

InChI=1S/C22H22BrN5O/c1-4-13(3)25-22(29)18-19-21(27-17-8-6-5-7-16(17)26-19)28(20(18)24)14-9-10-15(23)12(2)11-14/h5-11,13H,4,24H2,1-3H3,(H,25,29)/t13-/m0/s1