(2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-ethyl-hexan-1-amine

Systemtic Name: (2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-ethyl-hexan-1-amine Openeye Name: (2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-ethyl-hexan-1-amine CAS Name: (2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-ethyl-1-hexanamine IUPAC Name: (2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-ethylhexan-1-amine Traditional Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl-[(2S)-2-ethylhexyl]amine Formula: C18H26ClN3 MolecularWeight: 319.87214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3/c1-3-5-6-14(4-2)11-20-12-16-13-21-22-18(16)15-7-9-17(19)10-8-15/h7-10,13-14,20H,3-6,11-12H2,1-2H3,(H,21,22)/t14-/m0/s1