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

Systemtic Name: 1-(6-methoxypyridazin-3-yl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: 1-(6-methoxypyridazin-3-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-(6-methoxy-3-pyridazinyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-(6-methoxypyridazin-3-yl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C19H17F3N8O3 MolecularWeight: 462.38529

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4)C(F)(F)F

Isomeric SMILES

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4)C(F)(F)F

InChI

InChI=1S/C19H17F3N8O3/c1-33-16-5-4-14(27-28-16)30-17(19(20,21)22)12(9-25-30)18(32)26-11-2-3-13(24-8-11)29-7-6-23-15(31)10-29/h2-5,8-9H,6-7,10H2,1H3,(H,23,31)(H,26,32)