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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(2-methylphenyl)-5-phenyl-pyrazol-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(o-tolyl)-5-phenyl-pyrazol-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-(2-methylphenyl)-5-phenyl-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(2-methylphenyl)-5-phenylpyrazol-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(o-tolyl)-5-phenyl-pyrazol-4-yl]methanone Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3C)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3C)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c1-3-25-13-15-26(16-14-25)23(28)20-17-24-27(21-12-8-7-9-18(21)2)22(20)19-10-5-4-6-11-19/h4-12,17H,3,13-16H2,1-2H3/p+1