N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]adamantane-1-carboxamide Formula: C19H23ClF3N3O MolecularWeight: 401.85363

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCNC4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCNC4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C19H23ClF3N3O/c20-15-6-14(19(21,22)23)10-26-16(15)24-1-2-25-17(27)18-7-11-3-12(8-18)5-13(4-11)9-18/h6,10-13H,1-5,7-9H2,(H,24,26)(H,25,27)