N'-(4-tert-butylphenyl)-N-oxidanyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboximidamide

Systemtic Name: N'-(4-tert-butylphenyl)-N-oxidanyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboximidamide Openeye Name: N'-(4-tert-butylphenyl)-N-hydroxy-4-[3-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamidine CAS Name: N'-(4-tert-butylphenyl)-N-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboximidamide IUPAC Name: N'-(4-tert-butylphenyl)-N-hydroxy-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboximidamide Traditional Name: N'-(4-tert-butylphenyl)-N-hydroxy-4-[3-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamidine Formula: C21H26F3N5O MolecularWeight: 421.45925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N=C(NO)N2CCN(CC2)C3=C(C=CC=N3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N=C(NO)N2CCN(CC2)C3=C(C=CC=N3)C(F)(F)F

InChI

InChI=1S/C21H26F3N5O/c1-20(2,3)15-6-8-16(9-7-15)26-19(27-30)29-13-11-28(12-14-29)18-17(21(22,23)24)5-4-10-25-18/h4-10,30H,11-14H2,1-3H3,(H,26,27)