2-[(4-methoxyphenyl)methyl]-6-nitro-1-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-6-nitro-1-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(4-methoxyphenyl)methyl]-6-nitro-1-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(4-methoxyphenyl)methyl]-6-nitro-1-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(4-methoxyphenyl)methyl]-6-nitro-1-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 6-nitro-2-p-anisyl-1-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCC3=C(C2CC4=NC=NN4)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCC3=C(C2CC4=NC=NN4)C=CC(=C3)[N+](=O)[O-]

InChI

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