1-[4-[6-(2-chloranyl-4-methoxy-phenoxy)hexyl]-3,5-diethyl-pyrazol-1-yl]ethanone

Systemtic Name: 1-[4-[6-(2-chloranyl-4-methoxy-phenoxy)hexyl]-3,5-diethyl-pyrazol-1-yl]ethanone Openeye Name: 1-[4-[6-(2-chloro-4-methoxy-phenoxy)hexyl]-3,5-diethyl-pyrazol-1-yl]ethanone CAS Name: 1-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1-pyrazolyl]ethanone IUPAC Name: 1-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]ethanone Traditional Name: 1-[4-[6-(2-chloro-4-methoxy-phenoxy)hexyl]-3,5-diethyl-pyrazol-1-yl]ethanone Formula: C22H31ClN2O3 MolecularWeight: 406.94614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C(=O)C)CC)CCCCCCOC2=C(C=C(C=C2)OC)Cl

Isomeric SMILES

CCC1=C(C(=NN1C(=O)C)CC)CCCCCCOC2=C(C=C(C=C2)OC)Cl

InChI

InChI=1S/C22H31ClN2O3/c1-5-20-18(21(6-2)25(24-20)16(3)26)11-9-7-8-10-14-28-22-13-12-17(27-4)15-19(22)23/h12-13,15H,5-11,14H2,1-4H3