4-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[4-(4-bromophenyl)-4-hydroxy-piperidino]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C23H26BrN3O2 MolecularWeight: 456.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCC(CC3)(C4=CC=C(C=C4)Br)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCC(CC3)(C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C23H26BrN3O2/c1-17-21(22(28)27(25(17)2)20-6-4-3-5-7-20)16-26-14-12-23(29,13-15-26)18-8-10-19(24)11-9-18/h3-11,29H,12-16H2,1-2H3