2-[4-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-(5-cyclopropyl-2-phenyl-pyrazole-3-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[(5-cyclopropyl-2-phenyl-3-pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-(5-cyclopropyl-2-phenylpyrazole-3-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-(5-cyclopropyl-2-phenyl-pyrazole-3-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C25H27FN5O2+ MolecularWeight: 448.512583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C25H26FN5O2/c26-19-8-10-20(11-9-19)27-24(32)17-29-12-14-30(15-13-29)25(33)23-16-22(18-6-7-18)28-31(23)21-4-2-1-3-5-21/h1-5,8-11,16,18H,6-7,12-15,17H2,(H,27,32)/p+1