(2R)-N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-ethyl-hexan-1-amine

Systemtic Name: (2R)-N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-ethyl-hexan-1-amine Openeye Name: (2R)-N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-ethyl-hexan-1-amine CAS Name: (2R)-N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-ethyl-1-hexanamine IUPAC Name: (2R)-N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-ethylhexan-1-amine Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2R)-2-ethylhexyl]amine Formula: C20H31N3 MolecularWeight: 313.48024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNCC1=C(NN=C1)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCC[C@@H](CC)CNCC1=C(NN=C1)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C20H31N3/c1-5-7-8-17(6-2)12-21-13-19-14-22-23-20(19)18-10-9-15(3)16(4)11-18/h9-11,14,17,21H,5-8,12-13H2,1-4H3,(H,22,23)/t17-/m1/s1