2-[4-(1,3-diphenylpyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[4-(1,3-diphenylpyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-(1,3-diphenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-[(1,3-diphenyl-4-pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-(1,3-diphenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-(1,3-diphenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C26H27N6O3+ MolecularWeight: 471.53098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N6O3/c1-19-16-23(29-35-19)27-24(33)18-30-12-14-31(15-13-30)26(34)22-17-32(21-10-6-3-7-11-21)28-25(22)20-8-4-2-5-9-20/h2-11,16-17H,12-15,18H2,1H3,(H,27,29,33)/p+1