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

Systemtic Name: 4-bromanyl-5-[[4-[2-(3-chloranylphenoxy)ethyl]piperidin-1-yl]methyl]-1-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-bromo-5-[[4-[2-(3-chlorophenoxy)ethyl]-1-piperidyl]methyl]-1-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-bromo-5-[[4-[2-(3-chlorophenoxy)ethyl]-1-piperidinyl]methyl]-1-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-bromo-5-[[4-[2-(3-chlorophenoxy)ethyl]piperidin-1-yl]methyl]-1-methyl-2-phenylpyrazol-3-one Traditional Name: 4-bromo-5-[[4-[2-(3-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(=CC=C4)Cl

Isomeric SMILES

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

InChI

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