1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]azocane

Systemtic Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]azocane Openeye Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]azocane CAS Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]azocane IUPAC Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]azocane Traditional Name: 1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]azocane Formula: C19H27N3O2 MolecularWeight: 329.43658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)CN3CCCCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)CN3CCCCCCC3)OC

InChI

InChI=1S/C19H27N3O2/c1-23-16-8-9-17(18(12-16)24-2)19-15(13-20-21-19)14-22-10-6-4-3-5-7-11-22/h8-9,12-13H,3-7,10-11,14H2,1-2H3,(H,20,21)