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

Systemtic Name: 4-bromanyl-1-ethyl-2-phenyl-5-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]pyrazol-3-one Openeye Name: 4-bromo-1-ethyl-2-phenyl-5-[[4-(3-phenylpropyl)-1-piperidyl]methyl]pyrazol-3-one CAS Name: 4-bromo-1-ethyl-2-phenyl-5-[[4-(3-phenylpropyl)-1-piperidinyl]methyl]-3-pyrazolone IUPAC Name: 4-bromo-1-ethyl-2-phenyl-5-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]pyrazol-3-one Traditional Name: 4-bromo-1-ethyl-2-phenyl-5-[[4-(3-phenylpropyl)piperidino]methyl]-3-pyrazolin-3-one Formula: C26H32BrN3O MolecularWeight: 482.45578

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3CCC(CC3)CCCC4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3CCC(CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H32BrN3O/c1-2-29-24(25(27)26(31)30(29)23-14-7-4-8-15-23)20-28-18-16-22(17-19-28)13-9-12-21-10-5-3-6-11-21/h3-8,10-11,14-15,22H,2,9,12-13,16-20H2,1H3