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

Systemtic Name: N-(2-thiophen-2-ylethyl)-6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazine-3-carboxamide Openeye Name: N-[2-(2-thienyl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide CAS Name: 6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-N-(2-thiophen-2-ylethyl)-3-pyridazinecarboxamide IUPAC Name: N-(2-thiophen-2-ylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide Traditional Name: N-[2-(2-thienyl)ethyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazino]pyridazine-3-carboxamide Formula: C23H22F3N5O2S MolecularWeight: 489.51329

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C(=O)NCCC3=CC=CS3)C(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C(=O)NCCC3=CC=CS3)C(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C23H22F3N5O2S/c24-23(25,26)18-6-2-1-5-17(18)22(33)31-13-11-30(12-14-31)20-8-7-19(28-29-20)21(32)27-10-9-16-4-3-15-34-16/h1-8,15H,9-14H2,(H,27,32)