4-bromanyl-5-[[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]methyl]-2-cyclohexyl-1-methyl-pyrazol-3-one

Systemtic Name: 4-bromanyl-5-[[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]methyl]-2-cyclohexyl-1-methyl-pyrazol-3-one Openeye Name: 4-bromo-5-[[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]methyl]-2-cyclohexyl-1-methyl-pyrazol-3-one CAS Name: 4-bromo-5-[[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]methyl]-2-cyclohexyl-1-methyl-3-pyrazolone IUPAC Name: 4-bromo-5-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-2-cyclohexyl-1-methylpyrazol-3-one Traditional Name: 4-bromo-5-[[4-(5-chloro-2-methoxy-phenyl)piperazino]methyl]-2-cyclohexyl-1-methyl-3-pyrazolin-3-one Formula: C22H30BrClN4O2 MolecularWeight: 497.8562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2CCCCC2)Br)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CN1C(=C(C(=O)N1C2CCCCC2)Br)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C22H30BrClN4O2/c1-25-19(21(23)22(29)28(25)17-6-4-3-5-7-17)15-26-10-12-27(13-11-26)18-14-16(24)8-9-20(18)30-2/h8-9,14,17H,3-7,10-13,15H2,1-2H3