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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-4-phenyl-3-(pyridin-4-ylmethoxymethyl)isoquinolin-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-4-phenyl-3-(4-pyridylmethoxymethyl)isoquinolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-4-phenyl-3-(pyridin-4-ylmethoxymethyl)-1-isoquinolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-4-phenyl-3-(pyridin-4-ylmethoxymethyl)isoquinolin-1-one Traditional Name: 6-bromo-4-phenyl-2-piperonyl-3-(4-pyridylmethoxymethyl)isocarbostyril Formula: C30H23BrN2O4 MolecularWeight: 555.41862

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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=NC=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=NC=C6

InChI

InChI=1S/C30H23BrN2O4/c31-23-7-8-24-25(15-23)29(22-4-2-1-3-5-22)26(18-35-17-20-10-12-32-13-11-20)33(30(24)34)16-21-6-9-27-28(14-21)37-19-36-27/h1-15H,16-19H2