N-(4-ethanoylphenyl)-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetamide CAS Name: N-(4-acetylphenyl)-2-[5-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-pyrazolyl]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetamide Formula: C20H26N5O3+ MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NC2=CC=C(C=C2)C(=O)C)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)NC2=CC=C(C=C2)C(=O)C)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H25N5O3/c1-14-12-18(20(28)24-10-8-23(3)9-11-24)22-25(14)13-19(27)21-17-6-4-16(5-7-17)15(2)26/h4-7,12H,8-11,13H2,1-3H3,(H,21,27)/p+1