6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-(1H-pyrazol-5-yl)-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-(1H-pyrazol-5-yl)-1H-isoquinoline Openeye Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-(1H-pyrazol-5-yl)-1H-isoquinoline CAS Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-(1H-pyrazol-5-yl)-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-(1H-pyrazol-5-yl)-1H-isoquinoline Traditional Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-(1H-pyrazol-5-yl)-1H-isoquinoline Formula: C21H20N4O4 MolecularWeight: 392.4079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(N1C3=CC=NN3)C4=CC=C(C=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(N1C3=CC=NN3)C4=CC=C(C=C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H20N4O4/c1-13-10-15-11-18(28-2)19(29-3)12-17(15)21(24(13)20-8-9-22-23-20)14-4-6-16(7-5-14)25(26)27/h4-12,21H,1-3H3,(H,22,23)