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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-7,8-dimethoxy-1-(phenylmethyl)-2H-pyrazolo[3,4-c]isoquinoline Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-benzyl-7,8-dimethoxy-2H-pyrazolo[3,4-c]isoquinoline CAS Name: 5-(1,3-benzodioxol-5-yl)-7,8-dimethoxy-1-(phenylmethyl)-2H-pyrazolo[3,4-c]isoquinoline IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-benzyl-7,8-dimethoxy-2H-pyrazolo[3,4-c]isoquinoline Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-benzyl-7,8-dimethoxy-2H-pyrazol[3,4-c]isoquinoline 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=CC5=C(C=C4)OCO5)CC6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(NN=C3N=C2C4=CC5=C(C=C4)OCO5)CC6=CC=CC=C6)OC

InChI

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