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

Systemtic Name: 3-[7,8-dimethoxy-1-(phenylmethyl)-2H-pyrazolo[3,4-c]isoquinolin-5-yl]phenol Openeye Name: 3-(1-benzyl-7,8-dimethoxy-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol CAS Name: 3-[7,8-dimethoxy-1-(phenylmethyl)-2H-pyrazolo[3,4-c]isoquinolin-5-yl]phenol IUPAC Name: 3-(1-benzyl-7,8-dimethoxy-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol Traditional Name: 3-(1-benzyl-7,8-dimethoxy-2H-pyrazol[3,4-c]isoquinolin-5-yl)phenol Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O3/c1-30-21-13-18-19(14-22(21)31-2)24(16-9-6-10-17(29)12-16)26-25-23(18)20(27-28-25)11-15-7-4-3-5-8-15/h3-10,12-14,29H,11H2,1-2H3,(H,26,27,28)