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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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