N-[4-[(3R)-3-azanylpiperidin-1-yl]-5-bromanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide

Systemtic Name: N-[4-[(3R)-3-azanylpiperidin-1-yl]-5-bromanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide Openeye Name: N-[4-[(3R)-3-amino-1-piperidyl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide CAS Name: N-[4-[(3R)-3-amino-1-piperidinyl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide Traditional Name: N-[4-[(3R)-3-aminopiperidino]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide Formula: C21H20BrN7O MolecularWeight: 466.3338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C3C(=CNC3=NC=C2Br)NC(=O)C4=NC5=CC=CC=C5N=C4)N

Isomeric SMILES

C1C[C@H](CN(C1)C2=C3C(=CNC3=NC=C2Br)NC(=O)C4=NC5=CC=CC=C5N=C4)N

InChI

InChI=1S/C21H20BrN7O/c22-13-8-25-20-18(19(13)29-7-3-4-12(23)11-29)16(9-26-20)28-21(30)17-10-24-14-5-1-2-6-15(14)27-17/h1-2,5-6,8-10,12H,3-4,7,11,23H2,(H,25,26)(H,28,30)/t12-/m1/s1