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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-4-phenyl-3-(phenylmethoxymethyl)isoquinolin-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(benzyloxymethyl)-6-bromo-4-phenyl-isoquinolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-4-phenyl-3-(phenylmethoxymethyl)-1-isoquinolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-4-phenyl-3-(phenylmethoxymethyl)isoquinolin-1-one Traditional Name: 3-(benzoxymethyl)-6-bromo-4-phenyl-2-piperonyl-isocarbostyril Formula: C31H24BrNO4 MolecularWeight: 554.43056

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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)COCC6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)COCC6=CC=CC=C6

InChI

InChI=1S/C31H24BrNO4/c32-24-12-13-25-26(16-24)30(23-9-5-2-6-10-23)27(19-35-18-21-7-3-1-4-8-21)33(31(25)34)17-22-11-14-28-29(15-22)37-20-36-28/h1-16H,17-20H2