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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5)C

InChI

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