1-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-(4-nitrophenyl)piperazine

Systemtic Name: 1-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-(4-nitrophenyl)piperazine Openeye Name: 1-(4-nitrophenyl)-4-[[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine CAS Name: 1-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-(4-nitrophenyl)piperazine IUPAC Name: 1-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-(4-nitrophenyl)piperazine Traditional Name: 1-(4-nitrophenyl)-4-[[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=N2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=N2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O2/c1-15-2-4-16(5-3-15)20-21-19(22-23-20)14-24-10-12-25(13-11-24)17-6-8-18(9-7-17)26(27)28/h2-9H,10-14H2,1H3,(H,21,22,23)