1-(4-methoxyphenyl)-4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine

Systemtic Name: 1-(4-methoxyphenyl)-4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine Openeye Name: 1-(4-methoxyphenyl)-4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine CAS Name: 1-(4-methoxyphenyl)-4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine IUPAC Name: 1-(4-methoxyphenyl)-4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine Traditional Name: 1-(4-methoxyphenyl)-4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine Formula: C20H22N6O3 MolecularWeight: 394.42708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O3/c1-29-19-8-6-17(7-9-19)24-12-10-23(11-13-24)15-25-14-21-20(22-25)16-2-4-18(5-3-16)26(27)28/h2-9,14H,10-13,15H2,1H3