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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-3-(hydroxymethyl)-4-phenyl-isoquinolin-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3-(hydroxymethyl)-4-phenyl-isoquinolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3-(hydroxymethyl)-4-phenyl-1-isoquinolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3-(hydroxymethyl)-4-phenylisoquinolin-1-one Traditional Name: 6-bromo-3-methylol-4-phenyl-2-piperonyl-isocarbostyril Formula: C24H18BrNO4 MolecularWeight: 464.30802

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C24H18BrNO4/c25-17-7-8-18-19(11-17)23(16-4-2-1-3-5-16)20(13-27)26(24(18)28)12-15-6-9-21-22(10-15)30-14-29-21/h1-11,27H,12-14H2