3-[4-(5-bromanyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenoxy]propan-1-amine

Systemtic Name: 3-[4-(5-bromanyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenoxy]propan-1-amine Openeye Name: 3-[4-(5-bromo-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenoxy]propan-1-amine CAS Name: 3-[4-(5-bromo-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenoxy]-1-propanamine IUPAC Name: 3-[4-(5-bromo-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenoxy]propan-1-amine Traditional Name: 3-[4-(5-bromo-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenoxy]propylamine Formula: C22H20BrN3O MolecularWeight: 422.3177

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC(=CN=C3N2)Br)C4=CC=C(C=C4)OCCCN

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC(=CN=C3N2)Br)C4=CC=C(C=C4)OCCCN

InChI

InChI=1S/C22H20BrN3O/c23-17-13-19-20(15-7-9-18(10-8-15)27-12-4-11-24)21(26-22(19)25-14-17)16-5-2-1-3-6-16/h1-3,5-10,13-14H,4,11-12,24H2,(H,25,26)