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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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