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

Systemtic Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(5-cyclopropyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C26H30N5O2+ MolecularWeight: 444.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C26H29N5O2/c1-19(32)20-9-11-22(12-10-20)30-15-13-29(14-16-30)18-26(33)27-25-17-24(21-7-8-21)28-31(25)23-5-3-2-4-6-23/h2-6,9-12,17,21H,7-8,13-16,18H2,1H3,(H,27,33)/p+1