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

Systemtic Name: 5-[[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1H-1,2,4-triazol-3-olate Openeye Name: 5-[[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1H-1,2,4-triazol-3-olate CAS Name: 5-[[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-methylamino]methyl]-1H-1,2,4-triazol-3-olate IUPAC Name: 5-[[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-methylamino]methyl]-1H-1,2,4-triazol-3-olate Traditional Name: 5-[[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1H-1,2,4-triazol-3-olate Formula: C21H19N6O3- MolecularWeight: 403.41396

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)CC5=NC(=NN5)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)CC5=NC(=NN5)[O-]

InChI

InChI=1S/C21H20N6O3/c1-26(12-19-22-21(28)24-23-19)10-15-11-27(16-5-3-2-4-6-16)25-20(15)14-7-8-17-18(9-14)30-13-29-17/h2-9,11H,10,12-13H2,1H3,(H2,22,23,24,28)/p-1