2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-4-phenyl-isoquinolin-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-4-phenyl-isoquinolin-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-4-phenyl-isoquinolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-4-phenyl-1-isoquinolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-4-phenylisoquinolin-1-one Traditional Name: 6-bromo-4-phenyl-2-piperonyl-isocarbostyril Formula: C23H16BrNO3 MolecularWeight: 434.28204

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C23H16BrNO3/c24-17-7-8-18-19(11-17)20(16-4-2-1-3-5-16)13-25(23(18)26)12-15-6-9-21-22(10-15)28-14-27-21/h1-11,13H,12,14H2