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

Systemtic Name: N-pentyl-6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazine-3-carboxamide Openeye Name: N-pentyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide CAS Name: 6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-N-pentyl-3-pyridazinecarboxamide IUPAC Name: N-pentyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide Traditional Name: N-amyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazino]pyridazine-3-carboxamide Formula: C22H26F3N5O2 MolecularWeight: 449.46935

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=NN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCCCNC(=O)C1=NN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H26F3N5O2/c1-2-3-6-11-26-20(31)18-9-10-19(28-27-18)29-12-14-30(15-13-29)21(32)16-7-4-5-8-17(16)22(23,24)25/h4-5,7-10H,2-3,6,11-15H2,1H3,(H,26,31)