N-(5-cyanopyridin-2-yl)-6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazine-3-carboxamide

Systemtic Name: N-(5-cyanopyridin-2-yl)-6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazine-3-carboxamide Openeye Name: N-(5-cyano-2-pyridyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide CAS Name: N-(5-cyano-2-pyridinyl)-6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-pyridazinecarboxamide IUPAC Name: N-(5-cyanopyridin-2-yl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide Traditional Name: N-(5-cyano-2-pyridyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazino]pyridazine-3-carboxamide Formula: C23H18F3N7O2 MolecularWeight: 481.42993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18F3N7O2/c24-23(25,26)17-4-2-1-3-16(17)22(35)33-11-9-32(10-12-33)20-8-6-18(30-31-20)21(34)29-19-7-5-15(13-27)14-28-19/h1-8,14H,9-12H2,(H,28,29,34)