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

Systemtic Name: 2-[4-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-(5-cyclopropyl-2-phenyl-pyrazole-3-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[(5-cyclopropyl-2-phenyl-3-pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-(5-cyclopropyl-2-phenylpyrazole-3-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-(5-cyclopropyl-2-phenyl-pyrazole-3-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C27H32N5O2+ MolecularWeight: 458.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C27H31N5O2/c1-2-20-8-6-7-11-23(20)28-26(33)19-30-14-16-31(17-15-30)27(34)25-18-24(21-12-13-21)29-32(25)22-9-4-3-5-10-22/h3-11,18,21H,2,12-17,19H2,1H3,(H,28,33)/p+1