6,7-dimethoxy-2-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21N5O4/c1-28-18-9-15-7-8-23(11-16(15)10-19(18)29-2)13-24-12-21-20(22-24)14-3-5-17(6-4-14)25(26)27/h3-6,9-10,12H,7-8,11,13H2,1-2H3