5-[[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1H-1,2,4-triazol-3-olate

Systemtic Name: 5-[[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1H-1,2,4-triazol-3-olate Openeye Name: 5-[[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1H-1,2,4-triazol-3-olate CAS Name: 5-[[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl-methylamino]methyl]-1H-1,2,4-triazol-3-olate IUPAC Name: 5-[[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]methyl]-1H-1,2,4-triazol-3-olate Traditional Name: 5-[[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1H-1,2,4-triazol-3-olate Formula: C22H23N6O- MolecularWeight: 387.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)CN(C)CC4=NC(=NN4)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)CN(C)CC4=NC(=NN4)[O-]

InChI

InChI=1S/C22H24N6O/c1-15-9-10-16(2)19(11-15)28-13-18(21(26-28)17-7-5-4-6-8-17)12-27(3)14-20-23-22(29)25-24-20/h4-11,13H,12,14H2,1-3H3,(H2,23,24,25,29)/p-1