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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-3-(methoxymethyl)-4-phenyl-isoquinolin-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3-(methoxymethyl)-4-phenyl-isoquinolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3-(methoxymethyl)-4-phenyl-1-isoquinolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3-(methoxymethyl)-4-phenylisoquinolin-1-one Traditional Name: 6-bromo-3-(methoxymethyl)-4-phenyl-2-piperonyl-isocarbostyril Formula: C25H20BrNO4 MolecularWeight: 478.3346

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

COCC1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H20BrNO4/c1-29-14-21-24(17-5-3-2-4-6-17)20-12-18(26)8-9-19(20)25(28)27(21)13-16-7-10-22-23(11-16)31-15-30-22/h2-12H,13-15H2,1H3