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

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methanone Formula: C33H30FN4O+ MolecularWeight: 517.615903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CN(N=C4C5=CC=C(C=C5)F)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CN(N=C4C5=CC=C(C=C5)F)C6=CC=CC=C6

InChI

InChI=1S/C33H29FN4O/c34-28-18-16-25(17-19-28)31-30(24-38(35-31)29-14-8-3-9-15-29)33(39)37-22-20-36(21-23-37)32(26-10-4-1-5-11-26)27-12-6-2-7-13-27/h1-19,24,32H,20-23H2/p+1