[5-ethyl-1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-ethyl-1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-ethyl-1-(3-fluorophenyl)-3-isobutyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [5-ethyl-1-(3-fluorophenyl)-3-(2-methylpropyl)-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-ethyl-1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-ethyl-1-(3-fluorophenyl)-3-isobutyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C22H32FN4O+ MolecularWeight: 387.514083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC(=CC=C2)F)CC(C)C)C(=O)N3CC[NH+](CC3)CC

Isomeric SMILES

CCC1=C(C(=NN1C2=CC(=CC=C2)F)CC(C)C)C(=O)N3CC[NH+](CC3)CC

InChI

InChI=1S/C22H31FN4O/c1-5-20-21(22(28)26-12-10-25(6-2)11-13-26)19(14-16(3)4)24-27(20)18-9-7-8-17(23)15-18/h7-9,15-16H,5-6,10-14H2,1-4H3/p+1