4-bromanyl-5-[[4-[2-(4-chloranylphenoxy)ethyl]piperidin-1-yl]methyl]-1-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-bromanyl-5-[[4-[2-(4-chloranylphenoxy)ethyl]piperidin-1-yl]methyl]-1-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-bromo-5-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperidyl]methyl]-1-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-bromo-5-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperidinyl]methyl]-1-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-bromo-5-[[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]methyl]-1-methyl-2-phenylpyrazol-3-one Traditional Name: 4-bromo-5-[[4-[2-(4-chlorophenoxy)ethyl]piperidino]methyl]-1-methyl-2-phenyl-3-pyrazolin-3-one Formula: C24H27BrClN3O2 MolecularWeight: 504.84708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3CCC(CC3)CCOC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3CCC(CC3)CCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27BrClN3O2/c1-27-22(23(25)24(30)29(27)20-5-3-2-4-6-20)17-28-14-11-18(12-15-28)13-16-31-21-9-7-19(26)8-10-21/h2-10,18H,11-17H2,1H3