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

Systemtic Name: N-(4-methylpentyl)-6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazine-3-carboxamide Openeye Name: N-isohexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide CAS Name: N-(4-methylpentyl)-6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-pyridazinecarboxamide IUPAC Name: N-(4-methylpentyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide Traditional Name: N-isohexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazino]pyridazine-3-carboxamide Formula: C23H28F3N5O2 MolecularWeight: 463.49593

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28F3N5O2/c1-16(2)6-5-11-27-21(32)19-9-10-20(29-28-19)30-12-14-31(15-13-30)22(33)17-7-3-4-8-18(17)23(24,25)26/h3-4,7-10,16H,5-6,11-15H2,1-2H3,(H,27,32)