[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-isopropyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[4-(2-fluorophenyl)-2-pyrimidinyl]-5-propan-2-yl-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-isopropyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C22H26FN6O+ MolecularWeight: 409.479843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H25FN6O/c1-15(2)20-17(21(30)28-12-10-27(3)11-13-28)14-25-29(20)22-24-9-8-19(26-22)16-6-4-5-7-18(16)23/h4-9,14-15H,10-13H2,1-3H3/p+1