N-(2-oxidanylidene-1H-pyrimidin-6-yl)-6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazine-3-carboxamide

Systemtic Name: N-(2-oxidanylidene-1H-pyrimidin-6-yl)-6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazine-3-carboxamide Openeye Name: N-(2-oxo-1H-pyrimidin-6-yl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide CAS Name: N-(2-oxo-1H-pyrimidin-6-yl)-6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-pyridazinecarboxamide IUPAC Name: N-(2-oxo-1H-pyrimidin-6-yl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide Traditional Name: N-(2-keto-1H-pyrimidin-6-yl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazino]pyridazine-3-carboxamide Formula: C21H18F3N7O3 MolecularWeight: 473.40793

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C(=O)NC3=CC=NC(=O)N3)C(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C(=O)NC3=CC=NC(=O)N3)C(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H18F3N7O3/c22-21(23,24)14-4-2-1-3-13(14)19(33)31-11-9-30(10-12-31)17-6-5-15(28-29-17)18(32)26-16-7-8-25-20(34)27-16/h1-8H,9-12H2,(H2,25,26,27,32,34)