3-chloranyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[4-(1-pyrazolyl)-2-(trifluoromethyl)phenyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]adamantane-1-carboxamide Formula: C21H21ClF3N3O MolecularWeight: 423.85915

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NC4=C(C=C(C=C4)N5C=CC=N5)C(F)(F)F

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NC4=C(C=C(C=C4)N5C=CC=N5)C(F)(F)F

InChI

InChI=1S/C21H21ClF3N3O/c22-20-10-13-6-14(11-20)9-19(8-13,12-20)18(29)27-17-3-2-15(28-5-1-4-26-28)7-16(17)21(23,24)25/h1-5,7,13-14H,6,8-12H2,(H,27,29)