1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-2-(phenylcarbonyl)-8-phenylmethoxy-isoquinoline-1-carbonitrile

Systemtic Name: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-2-(phenylcarbonyl)-8-phenylmethoxy-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-8-benzyloxy-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-8-phenylmethoxy-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-8-phenylmethoxyisoquinoline-1-carbonitrile Traditional Name: 8-benzoxy-2-benzoyl-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-isoquinoline-1-carbonitrile Formula: C33H25BrN2O5 MolecularWeight: 609.466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=CN(C2(CC3=CC4=C(C=C3Br)OCO4)C#N)C(=O)C5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

COC1=C(C2=C(C=C1)C=CN(C2(CC3=CC4=C(C=C3Br)OCO4)C#N)C(=O)C5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C33H25BrN2O5/c1-38-27-13-12-23-14-15-36(32(37)24-10-6-3-7-11-24)33(20-35,18-25-16-28-29(17-26(25)34)41-21-40-28)30(23)31(27)39-19-22-8-4-2-5-9-22/h2-17H,18-19,21H2,1H3