2-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-6-nitro-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-6-nitro-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-6-nitro-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-6-nitro-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-6-nitro-3,4-dihydro-1H-isoquinoline Traditional Name: 6-nitro-2-[(2-p-anisyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline Formula: C20H21N5O3 MolecularWeight: 379.41244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=NC=N2)CN3CCC4=C(C3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=NC=N2)CN3CCC4=C(C3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-28-19-6-2-15(3-7-19)11-24-20(21-14-22-24)13-23-9-8-16-10-18(25(26)27)5-4-17(16)12-23/h2-7,10,14H,8-9,11-13H2,1H3