(4-cyclohexylpiperazin-4-ium-1-yl)-[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-[1-[4-(2-fluorophenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methylpyrazol-4-yl]methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone Formula: C25H30FN6O+ MolecularWeight: 449.543703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)N4CC[NH+](CC4)C5CCCCC5

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)N4CC[NH+](CC4)C5CCCCC5

InChI

InChI=1S/C25H29FN6O/c1-18-21(24(33)31-15-13-30(14-16-31)19-7-3-2-4-8-19)17-28-32(18)25-27-12-11-23(29-25)20-9-5-6-10-22(20)26/h5-6,9-12,17,19H,2-4,7-8,13-16H2,1H3/p+1