6,7-dimethoxy-1-[(2-nitro-5-phenylmethoxy-phenyl)methyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 6,7-dimethoxy-1-[(2-nitro-5-phenylmethoxy-phenyl)methyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-[(5-benzyloxy-2-nitro-phenyl)methyl]-6,7-dimethoxy-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-6,7-dimethoxy-1-[(2-nitro-5-phenylmethoxyphenyl)methyl]-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-6,7-dimethoxy-1-[(2-nitro-5-phenylmethoxyphenyl)methyl]isoquinoline-1-carbonitrile Traditional Name: 1-(5-benzoxy-2-nitro-benzyl)-2-benzoyl-6,7-dimethoxy-isoquinoline-1-carbonitrile Formula: C33H27N3O6 MolecularWeight: 561.58398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN(C2(CC3=C(C=CC(=C3)OCC4=CC=CC=C4)[N+](=O)[O-])C#N)C(=O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN(C2(CC3=C(C=CC(=C3)OCC4=CC=CC=C4)[N+](=O)[O-])C#N)C(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C33H27N3O6/c1-40-30-18-25-15-16-35(32(37)24-11-7-4-8-12-24)33(22-34,28(25)19-31(30)41-2)20-26-17-27(13-14-29(26)36(38)39)42-21-23-9-5-3-6-10-23/h3-19H,20-21H2,1-2H3