2-(3-bromanyl-5-isoquinolin-6-yl-phenyl)peroxy-N-(1H-indol-3-ylmethyl)ethanamine

Systemtic Name: 2-(3-bromanyl-5-isoquinolin-6-yl-phenyl)peroxy-N-(1H-indol-3-ylmethyl)ethanamine Openeye Name: 2-[3-bromo-5-(6-isoquinolyl)phenyl]peroxy-N-(1H-indol-3-ylmethyl)ethanamine CAS Name: 2-[3-bromo-5-(6-isoquinolinyl)phenyl]dioxy-N-(1H-indol-3-ylmethyl)ethanamine IUPAC Name: 2-(3-bromo-5-isoquinolin-6-ylphenyl)peroxy-N-(1H-indol-3-ylmethyl)ethanamine Traditional Name: 2-[3-bromo-5-(6-isoquinolyl)phenyl]peroxyethyl-(1H-indol-3-ylmethyl)amine Formula: C26H22BrN3O2 MolecularWeight: 488.37578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CNCCOOC3=CC(=CC(=C3)C4=CC5=C(C=C4)C=NC=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CNCCOOC3=CC(=CC(=C3)C4=CC5=C(C=C4)C=NC=C5)Br

InChI

InChI=1S/C26H22BrN3O2/c27-23-12-21(18-5-6-20-15-28-8-7-19(20)11-18)13-24(14-23)32-31-10-9-29-16-22-17-30-26-4-2-1-3-25(22)26/h1-8,11-15,17,29-30H,9-10,16H2