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

Systemtic Name: N-[4-[(3R)-3-azanylpiperidin-1-yl]-5-bromanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxy-benzamide Openeye Name: N-[4-[(3R)-3-amino-1-piperidyl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxy-benzamide CAS Name: N-[4-[(3R)-3-amino-1-piperidinyl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide IUPAC Name: N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide Traditional Name: N-[4-[(3R)-3-aminopiperidino]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxy-benzamide Formula: C20H22BrN5O2 MolecularWeight: 444.32498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CNC3=NC=C(C(=C23)N4CCCC(C4)N)Br

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CNC3=NC=C(C(=C23)N4CCC[C@H](C4)N)Br

InChI

InChI=1S/C20H22BrN5O2/c1-28-14-6-2-4-12(8-14)20(27)25-16-10-24-19-17(16)18(15(21)9-23-19)26-7-3-5-13(22)11-26/h2,4,6,8-10,13H,3,5,7,11,22H2,1H3,(H,23,24)(H,25,27)/t13-/m1/s1