1-(4-methylphenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-(4-methylphenyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-(4-methylphenyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C21H19F3N6O2 MolecularWeight: 444.40977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4)C(F)(F)F

InChI

InChI=1S/C21H19F3N6O2/c1-13-2-5-15(6-3-13)30-19(21(22,23)24)16(11-27-30)20(32)28-14-4-7-17(26-10-14)29-9-8-25-18(31)12-29/h2-7,10-11H,8-9,12H2,1H3,(H,25,31)(H,28,32)