N-(1-adamantyl)-7-(trifluoromethyl)quinoline-3-carboxamide

Systemtic Name: N-(1-adamantyl)-7-(trifluoromethyl)quinoline-3-carboxamide Openeye Name: N-(1-adamantyl)-7-(trifluoromethyl)quinoline-3-carboxamide CAS Name: N-(1-adamantyl)-7-(trifluoromethyl)-3-quinolinecarboxamide IUPAC Name: N-(1-adamantyl)-7-(trifluoromethyl)quinoline-3-carboxamide Traditional Name: N-(1-adamantyl)-7-(trifluoromethyl)quinoline-3-carboxamide Formula: C21H21F3N2O MolecularWeight: 374.39945

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CN=C5C=C(C=CC5=C4)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CN=C5C=C(C=CC5=C4)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O/c22-21(23,24)17-2-1-15-6-16(11-25-18(15)7-17)19(27)26-20-8-12-3-13(9-20)5-14(4-12)10-20/h1-2,6-7,11-14H,3-5,8-10H2,(H,26,27)