[2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [2-(4-chlorophenyl)-5-phenyl-3-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-(4-chlorophenyl)-5-phenylpyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C22H24ClN4O+ MolecularWeight: 395.90516

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H23ClN4O/c1-2-25-12-14-26(15-13-25)22(28)21-16-20(17-6-4-3-5-7-17)24-27(21)19-10-8-18(23)9-11-19/h3-11,16H,2,12-15H2,1H3/p+1