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

Systemtic Name: 4-chloranyl-2-(4-fluorophenyl)-1-methyl-5-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]pyrazol-3-one Openeye Name: 4-chloro-2-(4-fluorophenyl)-1-methyl-5-[[4-(3-phenylpropyl)-1-piperidyl]methyl]pyrazol-3-one CAS Name: 4-chloro-2-(4-fluorophenyl)-1-methyl-5-[[4-(3-phenylpropyl)-1-piperidinyl]methyl]-3-pyrazolone IUPAC Name: 4-chloro-2-(4-fluorophenyl)-1-methyl-5-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]pyrazol-3-one Traditional Name: 4-chloro-2-(4-fluorophenyl)-1-methyl-5-[[4-(3-phenylpropyl)piperidino]methyl]-3-pyrazolin-3-one Formula: C25H29ClFN3O MolecularWeight: 441.968663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClFN3O/c1-28-23(24(26)25(31)30(28)22-12-10-21(27)11-13-22)18-29-16-14-20(15-17-29)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,10-13,20H,5,8-9,14-18H2,1H3