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

Systemtic Name: N-(6-oxidanylidene-1H-pyrimidin-2-yl)-6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazine-3-carboxamide Openeye Name: N-(6-oxo-1H-pyrimidin-2-yl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide CAS Name: N-(6-oxo-1H-pyrimidin-2-yl)-6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-pyridazinecarboxamide IUPAC Name: N-(6-oxo-1H-pyrimidin-2-yl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide Traditional Name: N-(6-keto-1H-pyrimidin-2-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=NC=CC(=O)N3)C(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C(=O)NC3=NC=CC(=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(34)31-11-9-30(10-12-31)16-6-5-15(28-29-16)18(33)27-20-25-8-7-17(32)26-20/h1-8H,9-12H2,(H2,25,26,27,32,33)