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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-5-methyl-3-(2-methylpropyl)pyrazol-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-3-isobutyl-5-methyl-pyrazol-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-(3-fluorophenyl)-5-methyl-3-(2-methylpropyl)-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-5-methyl-3-(2-methylpropyl)pyrazol-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-3-isobutyl-5-methyl-pyrazol-4-yl]methanone Formula: C21H30FN4O+ MolecularWeight: 373.487503

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2CC(C)C)C3=CC(=CC=C3)F)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2CC(C)C)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C21H29FN4O/c1-5-24-9-11-25(12-10-24)21(27)20-16(4)26(23-19(20)13-15(2)3)18-8-6-7-17(22)14-18/h6-8,14-15H,5,9-13H2,1-4H3/p+1