1-(3-chlorophenyl)-6,7-dimethoxy-2-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 1-(3-chlorophenyl)-6,7-dimethoxy-2-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 1-(3-chlorophenyl)-6,7-dimethoxy-2-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 1-(3-chlorophenyl)-6,7-dimethoxy-2-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 1-(3-chlorophenyl)-6,7-dimethoxy-2-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 1-(3-chlorophenyl)-6,7-dimethoxy-2-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline Formula: C25H23ClN2O6 MolecularWeight: 482.91292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C5=CC(=CC=C5)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C5=CC(=CC=C5)Cl)OC

InChI

InChI=1S/C25H23ClN2O6/c1-31-21-9-15-6-7-27(13-17-10-23-24(34-14-33-23)12-20(17)28(29)30)25(19(15)11-22(21)32-2)16-4-3-5-18(26)8-16/h3-5,8-12,25H,6-7,13-14H2,1-2H3