N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[3-(2-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C26H30N5O2+ MolecularWeight: 444.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)C5=CC=CC=C5

InChI

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