925155-72-2
METHANONE, [4-(3-CHLOROPHENYL)-1-PIPERAZINYL](3-ETHYL-5-METHYL-4-ISOXAZOLYL)-
NameMETHANONE, [4-(3-CHLOROPHENYL)-1-PIPERAZINYL](3-ETHYL-5-METHYL-4-ISOXAZOLYL)-
pro_formulaC17 H20 Cl N3 O2
1Identification
【Name】
METHANONE, [4-(3-CHLOROPHENYL)-1-PIPERAZINYL](3-ETHYL-5-METHYL-4-ISOXAZOLYL)-
【CAS】
【MDL】
MFCD09431484
【EnglishSynonyms】
【pro_formula】
C17 H20 Cl N3 O2
【pro_molWeight】
333.817
【Inchi】
InChI=1S/C17H20ClN3O2/c1-3-15-16(12(2)23-19-15)17(22)21-9-7-20(8-10-21)14-6-4-5-13(18)11-14/h4-6,11H,3,7-10H2,1-2H3
【InChIKey】
InChIKey=XGNMRRNPUNJIOT-UHFFFAOYSA-N
【SMILES】
CCc1c(c(on1)C)C(=O)N2CCN(CC2)c3cccc(c3)Cl
【MOL File】
METHANONE, [4-(3-CHL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
METHANONE, [4-(3-CHLOROPHENYL)-1-PIPERAZINYL](3-ETHYL-5-METHYL-4-ISOXAZOLYL)-.cml