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

Systemtic Name: N-pyridazin-3-yl-6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazine-3-carboxamide Openeye Name: N-pyridazin-3-yl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide CAS Name: 6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-N-(3-pyridazinyl)-3-pyridazinecarboxamide IUPAC Name: N-pyridazin-3-yl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide Traditional Name: N-pyridazin-3-yl-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=NN=CC=C3)C(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C(=O)NC3=NN=CC=C3)C(=O)C4=CC=CC=C4C(F)(F)F

InChI

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