[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C23H26FN4O+ MolecularWeight: 393.477143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C23H25FN4O/c1-2-12-26-13-15-27(16-14-26)23(29)21-17-28(20-6-4-3-5-7-20)25-22(21)18-8-10-19(24)11-9-18/h3-11,17H,2,12-16H2,1H3/p+1