5-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-(4-fluorophenyl)-4-phenyl-pyrazol-3-amine

Systemtic Name: 5-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-(4-fluorophenyl)-4-phenyl-pyrazol-3-amine Openeye Name: 5-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-(4-fluorophenyl)-4-phenyl-pyrazol-3-amine CAS Name: 5-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-2-(4-fluorophenyl)-4-phenyl-3-pyrazolamine IUPAC Name: 5-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-(4-fluorophenyl)-4-phenylpyrazol-3-amine Traditional Name: [5-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-(4-fluorophenyl)-4-phenyl-pyrazol-3-yl]amine Formula: C22H28FN5+2 MolecularWeight: 381.489623

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC=C(C=C4)F

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN5/c1-2-26-12-14-27(15-13-26)16-20-21(17-6-4-3-5-7-17)22(24)28(25-20)19-10-8-18(23)9-11-19/h3-11H,2,12-16,24H2,1H3/p+2