7,8-dimethoxy-5-(4-nitrophenyl)-1-(phenylmethyl)-2H-pyrazolo[3,4-c]isoquinoline

Systemtic Name: 7,8-dimethoxy-5-(4-nitrophenyl)-1-(phenylmethyl)-2H-pyrazolo[3,4-c]isoquinoline Openeye Name: 1-benzyl-7,8-dimethoxy-5-(4-nitrophenyl)-2H-pyrazolo[3,4-c]isoquinoline CAS Name: 7,8-dimethoxy-5-(4-nitrophenyl)-1-(phenylmethyl)-2H-pyrazolo[3,4-c]isoquinoline IUPAC Name: 1-benzyl-7,8-dimethoxy-5-(4-nitrophenyl)-2H-pyrazolo[3,4-c]isoquinoline Traditional Name: 1-benzyl-7,8-dimethoxy-5-(4-nitrophenyl)-2H-pyrazol[3,4-c]isoquinoline Formula: C25H20N4O4 MolecularWeight: 440.4507

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(NN=C3N=C2C4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(NN=C3N=C2C4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5)OC

InChI

InChI=1S/C25H20N4O4/c1-32-21-13-18-19(14-22(21)33-2)24(16-8-10-17(11-9-16)29(30)31)26-25-23(18)20(27-28-25)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,26,27,28)