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

Systemtic Name: 5-[[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1H-1,2,4-triazol-3-olate Openeye Name: 5-[[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1H-1,2,4-triazol-3-olate CAS Name: 5-[[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl-methylamino]methyl]-1H-1,2,4-triazol-3-olate IUPAC Name: 5-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl-methylamino]methyl]-1H-1,2,4-triazol-3-olate Traditional Name: 5-[[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1H-1,2,4-triazol-3-olate Formula: C21H27N6O- MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)CN(C)CC4=NC(=NN4)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)CN(C)CC4=NC(=NN4)[O-]

InChI

InChI=1S/C21H28N6O/c1-26(14-19-22-21(28)24-23-19)12-18-13-27(2)25-20(18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,13,15H,3-7,12,14H2,1-2H3,(H2,22,23,24,28)/p-1