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

Systemtic Name: 1-(2-ethoxyphenyl)-4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine Openeye Name: 1-(2-ethoxyphenyl)-4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine CAS Name: 1-(2-ethoxyphenyl)-4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine IUPAC Name: 1-(2-ethoxyphenyl)-4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazine Traditional Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-o-phenetyl-piperazine Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O3/c1-2-30-20-6-4-3-5-19(20)25-13-11-24(12-14-25)16-26-15-22-21(23-26)17-7-9-18(10-8-17)27(28)29/h3-10,15H,2,11-14,16H2,1H3