3-[7,8-dimethoxy-1-(phenylmethyl)-2H-pyrazolo[3,4-c]isoquinolin-5-yl]-4-nitro-phenol

Systemtic Name: 3-[7,8-dimethoxy-1-(phenylmethyl)-2H-pyrazolo[3,4-c]isoquinolin-5-yl]-4-nitro-phenol Openeye Name: 3-(1-benzyl-7,8-dimethoxy-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-4-nitro-phenol CAS Name: 3-[7,8-dimethoxy-1-(phenylmethyl)-2H-pyrazolo[3,4-c]isoquinolin-5-yl]-4-nitrophenol IUPAC Name: 3-(1-benzyl-7,8-dimethoxy-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-4-nitrophenol Traditional Name: 3-(1-benzyl-7,8-dimethoxy-2H-pyrazol[3,4-c]isoquinolin-5-yl)-4-nitro-phenol Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N4O5/c1-33-21-12-16-17(13-22(21)34-2)24(18-11-15(30)8-9-20(18)29(31)32)26-25-23(16)19(27-28-25)10-14-6-4-3-5-7-14/h3-9,11-13,30H,10H2,1-2H3,(H,26,27,28)