(2S)-1-(3-bromanyl-5-isoquinolin-6-yl-phenoxy)-3-(1H-indol-3-yl)propan-2-amine

Systemtic Name: (2S)-1-(3-bromanyl-5-isoquinolin-6-yl-phenoxy)-3-(1H-indol-3-yl)propan-2-amine Openeye Name: (2S)-1-[3-bromo-5-(6-isoquinolyl)phenoxy]-3-(1H-indol-3-yl)propan-2-amine CAS Name: (2S)-1-[3-bromo-5-(6-isoquinolinyl)phenoxy]-3-(1H-indol-3-yl)-2-propanamine IUPAC Name: (2S)-1-(3-bromo-5-isoquinolin-6-ylphenoxy)-3-(1H-indol-3-yl)propan-2-amine Traditional Name: [(1S)-1-[[3-bromo-5-(6-isoquinolyl)phenoxy]methyl]-2-(1H-indol-3-yl)ethyl]amine Formula: C26H22BrN3O MolecularWeight: 472.37638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CC(=CC(=C3)C4=CC5=C(C=C4)C=NC=C5)Br)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](COC3=CC(=CC(=C3)C4=CC5=C(C=C4)C=NC=C5)Br)N

InChI

InChI=1S/C26H22BrN3O/c27-22-10-20(17-5-6-19-14-29-8-7-18(19)9-17)12-24(13-22)31-16-23(28)11-21-15-30-26-4-2-1-3-25(21)26/h1-10,12-15,23,30H,11,16,28H2/t23-/m0/s1