[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C28H28FN4O2+ MolecularWeight: 471.545923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C28H27FN4O2/c29-23-13-11-22(12-14-23)27-26(21-33(30-27)24-7-3-1-4-8-24)28(34)32-17-15-31(16-18-32)19-20-35-25-9-5-2-6-10-25/h1-14,21H,15-20H2/p+1