1-methyl-4-[4-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]-2-nitro-phenyl]piperazine

Systemtic Name: 1-methyl-4-[4-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]-2-nitro-phenyl]piperazine Openeye Name: 1-methyl-4-[4-[5-(2-methyl-4-pyridyl)-1H-1,2,4-triazol-3-yl]-2-nitro-phenyl]piperazine CAS Name: 1-methyl-4-[4-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-2-nitrophenyl]piperazine IUPAC Name: 1-methyl-4-[4-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]-2-nitrophenyl]piperazine Traditional Name: 1-methyl-4-[4-[5-(2-methyl-4-pyridyl)-1H-1,2,4-triazol-3-yl]-2-nitro-phenyl]piperazine Formula: C19H21N7O2 MolecularWeight: 379.41574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N7O2/c1-13-11-15(5-6-20-13)19-21-18(22-23-19)14-3-4-16(17(12-14)26(27)28)25-9-7-24(2)8-10-25/h3-6,11-12H,7-10H2,1-2H3,(H,21,22,23)