(2S)-3-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-methyl-amino]propane-1,2-diol

Systemtic Name: (2S)-3-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-methyl-amino]propane-1,2-diol Openeye Name: (2S)-3-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-methyl-amino]propane-1,2-diol CAS Name: (2S)-3-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl-methylamino]propane-1,2-diol IUPAC Name: (2S)-3-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl-methylamino]propane-1,2-diol Traditional Name: (2S)-3-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-methyl-amino]propane-1,2-diol Formula: C21H31N3O2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)CN(C)CC(CO)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)CN(C)C[C@@H](CO)O

InChI

InChI=1S/C21H31N3O2/c1-23(14-20(26)15-25)12-19-13-24(2)22-21(19)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-11,13,16,20,25-26H,3-7,12,14-15H2,1-2H3/t20-/m0/s1