8-methoxy-5,5-dimethyl-3-phenyl-9-phenylmethoxy-6H-[1,2,4]triazolo[3,4-a]isoquinoline

Systemtic Name: 8-methoxy-5,5-dimethyl-3-phenyl-9-phenylmethoxy-6H-[1,2,4]triazolo[3,4-a]isoquinoline Openeye Name: 9-benzyloxy-8-methoxy-5,5-dimethyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline CAS Name: 8-methoxy-5,5-dimethyl-3-phenyl-9-phenylmethoxy-6H-[1,2,4]triazolo[3,4-a]isoquinoline IUPAC Name: 8-methoxy-5,5-dimethyl-3-phenyl-9-phenylmethoxy-6H-[1,2,4]triazolo[3,4-a]isoquinoline Traditional Name: 9-benzoxy-8-methoxy-5,5-dimethyl-3-phenyl-6H-[1,2,4]triazol[3,4-a]isoquinoline Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C3=NN=C(N31)C4=CC=CC=C4)OCC5=CC=CC=C5)OC)C

Isomeric SMILES

CC1(CC2=CC(=C(C=C2C3=NN=C(N31)C4=CC=CC=C4)OCC5=CC=CC=C5)OC)C

InChI

InChI=1S/C26H25N3O2/c1-26(2)16-20-14-22(30-3)23(31-17-18-10-6-4-7-11-18)15-21(20)25-28-27-24(29(25)26)19-12-8-5-9-13-19/h4-15H,16-17H2,1-3H3