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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-[4-(2-fluorophenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methylpyrazol-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone Formula: C21H24FN6O+ MolecularWeight: 395.453263

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CC=C4F)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CC=C4F)C

InChI

InChI=1S/C21H23FN6O/c1-3-26-10-12-27(13-11-26)20(29)17-14-24-28(15(17)2)21-23-9-8-19(25-21)16-6-4-5-7-18(16)22/h4-9,14H,3,10-13H2,1-2H3/p+1