N-[1-(1-adamantyl)propyl]-2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamide Openeye Name: N-[1-(1-adamantyl)propyl]-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide CAS Name: N-[1-(1-adamantyl)propyl]-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]acetamide IUPAC Name: N-[1-(1-adamantyl)propyl]-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide Traditional Name: N-[1-(1-adamantyl)propyl]-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide Formula: C22H29BrF3N3O MolecularWeight: 488.38437

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=C(C(=N4)C(F)(F)F)Br)C5CC5

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=C(C(=N4)C(F)(F)F)Br)C5CC5

InChI

InChI=1S/C22H29BrF3N3O/c1-2-16(21-8-12-5-13(9-21)7-14(6-12)10-21)27-17(30)11-29-19(15-3-4-15)18(23)20(28-29)22(24,25)26/h12-16H,2-11H2,1H3,(H,27,30)