4-bromanyl-5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-1-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-bromanyl-5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-1-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-bromo-5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]-1-piperidyl]methyl]-1-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-bromo-5-[[4-[3-[4-(1-imidazolyl)phenyl]propyl]-1-piperidinyl]methyl]-1-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-bromo-5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-1-methyl-2-phenylpyrazol-3-one Traditional Name: 4-bromo-5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidino]methyl]-1-methyl-2-phenyl-3-pyrazolin-3-one Formula: C28H32BrN5O MolecularWeight: 534.49058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3CCC(CC3)CCCC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3CCC(CC3)CCCC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C28H32BrN5O/c1-31-26(27(29)28(35)34(31)25-8-3-2-4-9-25)20-32-17-14-23(15-18-32)7-5-6-22-10-12-24(13-11-22)33-19-16-30-21-33/h2-4,8-13,16,19,21,23H,5-7,14-15,17-18,20H2,1H3