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

Systemtic Name: N-pyrimidin-2-yl-6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazine-3-carboxamide Openeye Name: N-pyrimidin-2-yl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide CAS Name: 6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-N-(2-pyrimidinyl)-3-pyridazinecarboxamide IUPAC Name: N-pyrimidin-2-yl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide Traditional Name: N-(2-pyrimidyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazino]pyridazine-3-carboxamide Formula: C21H18F3N7O2 MolecularWeight: 457.40853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3N7O2/c22-21(23,24)15-5-2-1-4-14(15)19(33)31-12-10-30(11-13-31)17-7-6-16(28-29-17)18(32)27-20-25-8-3-9-26-20/h1-9H,10-13H2,(H,25,26,27,32)