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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3CCC(CC3)CCC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

CCN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3CCC(CC3)CCC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C28H32BrN5O/c1-2-33-26(27(29)28(35)34(33)25-6-4-3-5-7-25)20-31-17-14-23(15-18-31)9-8-22-10-12-24(13-11-22)32-19-16-30-21-32/h3-7,10-13,16,19,21,23H,2,8-9,14-15,17-18,20H2,1H3