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

Systemtic Name: 4-bromanyl-1-methyl-2-phenyl-5-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]pyrazol-3-one Openeye Name: 4-bromo-1-methyl-2-phenyl-5-[[4-(3-phenylpropyl)-1-piperidyl]methyl]pyrazol-3-one CAS Name: 4-bromo-1-methyl-2-phenyl-5-[[4-(3-phenylpropyl)-1-piperidinyl]methyl]-3-pyrazolone IUPAC Name: 4-bromo-1-methyl-2-phenyl-5-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]pyrazol-3-one Traditional Name: 4-bromo-1-methyl-2-phenyl-5-[[4-(3-phenylpropyl)piperidino]methyl]-3-pyrazolin-3-one Formula: C25H30BrN3O MolecularWeight: 468.4292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30BrN3O/c1-27-23(24(26)25(30)29(27)22-13-6-3-7-14-22)19-28-17-15-21(16-18-28)12-8-11-20-9-4-2-5-10-20/h2-7,9-10,13-14,21H,8,11-12,15-19H2,1H3