5,8-dimethoxy-2-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol

Systemtic Name: 5,8-dimethoxy-2-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol Openeye Name: 5,8-dimethoxy-2-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol CAS Name: 5,8-dimethoxy-2-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol IUPAC Name: 5,8-dimethoxy-2-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol Traditional Name: 5,8-dimethoxy-2-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C2CN(CC(C2=C(C=C1)OC)O)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5/c1-29-17-7-8-18(30-2)19-15(17)9-23(10-16(19)26)12-24-11-21-20(22-24)13-3-5-14(6-4-13)25(27)28/h3-8,11,16,26H,9-10,12H2,1-2H3