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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-3-(butoxymethyl)-4-phenyl-isoquinolin-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3-(butoxymethyl)-4-phenyl-isoquinolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3-(butoxymethyl)-4-phenyl-1-isoquinolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3-(butoxymethyl)-4-phenylisoquinolin-1-one Traditional Name: 6-bromo-3-(butoxymethyl)-4-phenyl-2-piperonyl-isocarbostyril Formula: C28H26BrNO4 MolecularWeight: 520.41434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CCCCOCC1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C28H26BrNO4/c1-2-3-13-32-17-24-27(20-7-5-4-6-8-20)23-15-21(29)10-11-22(23)28(31)30(24)16-19-9-12-25-26(14-19)34-18-33-25/h4-12,14-15H,2-3,13,16-18H2,1H3