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

Systemtic Name: N-(2-cyclopropylethyl)-6-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazine-3-carboxamide Openeye Name: N-(2-cyclopropylethyl)-6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide CAS Name: N-(2-cyclopropylethyl)-6-[4-[[5-fluoro-2-(trifluoromethyl)phenyl]-oxomethyl]-1-piperazinyl]-3-pyridazinecarboxamide IUPAC Name: N-(2-cyclopropylethyl)-6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide Traditional Name: N-(2-cyclopropylethyl)-6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazino]pyridazine-3-carboxamide Formula: C22H23F4N5O2 MolecularWeight: 465.443933

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CCNC(=O)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)F)C(F)(F)F

Isomeric SMILES

C1CC1CCNC(=O)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)F)C(F)(F)F

InChI

InChI=1S/C22H23F4N5O2/c23-15-3-4-17(22(24,25)26)16(13-15)21(33)31-11-9-30(10-12-31)19-6-5-18(28-29-19)20(32)27-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,27,32)