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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-3-[(4-methoxyphenyl)methoxymethyl]-4-phenyl-isoquinolin-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3-[(4-methoxyphenyl)methoxymethyl]-4-phenyl-isoquinolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3-[(4-methoxyphenyl)methoxymethyl]-4-phenyl-1-isoquinolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-3-[(4-methoxyphenyl)methoxymethyl]-4-phenylisoquinolin-1-one Traditional Name: 6-bromo-3-(p-anisyloxymethyl)-4-phenyl-2-piperonyl-isocarbostyril Formula: C32H26BrNO5 MolecularWeight: 584.45654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COCC2=C(C3=C(C=CC(=C3)Br)C(=O)N2CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)COCC2=C(C3=C(C=CC(=C3)Br)C(=O)N2CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C32H26BrNO5/c1-36-25-11-7-21(8-12-25)18-37-19-28-31(23-5-3-2-4-6-23)27-16-24(33)10-13-26(27)32(35)34(28)17-22-9-14-29-30(15-22)39-20-38-29/h2-16H,17-20H2,1H3