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

Systemtic Name: 4-[7,8-dimethoxy-1-(phenylmethyl)-2H-pyrazolo[3,4-c]isoquinolin-5-yl]benzoic acid Openeye Name: 4-(1-benzyl-7,8-dimethoxy-2H-pyrazolo[3,4-c]isoquinolin-5-yl)benzoic acid CAS Name: 4-[7,8-dimethoxy-1-(phenylmethyl)-2H-pyrazolo[3,4-c]isoquinolin-5-yl]benzoic acid IUPAC Name: 4-(1-benzyl-7,8-dimethoxy-2H-pyrazolo[3,4-c]isoquinolin-5-yl)benzoic acid Traditional Name: 4-(1-benzyl-7,8-dimethoxy-2H-pyrazol[3,4-c]isoquinolin-5-yl)benzoic acid Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(NN=C3N=C2C4=CC=C(C=C4)C(=O)O)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(NN=C3N=C2C4=CC=C(C=C4)C(=O)O)CC5=CC=CC=C5)OC

InChI

InChI=1S/C26H21N3O4/c1-32-21-13-18-19(14-22(21)33-2)24(16-8-10-17(11-9-16)26(30)31)27-25-23(18)20(28-29-25)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,30,31)(H,27,28,29)