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

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

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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)C(C)C

Isomeric SMILES

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

InChI

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