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

Systemtic Name: N-(2-adamantyl)-2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Openeye Name: N-(2-adamantyl)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide CAS Name: N-(2-adamantyl)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]propanamide IUPAC Name: N-(2-adamantyl)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Traditional Name: N-(2-adamantyl)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propionamide Formula: C20H25BrF3N3O MolecularWeight: 460.33121

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C2CC3CC(C2)CC1C3)N4C(=C(C(=N4)C(F)(F)F)Br)C5CC5

Isomeric SMILES

CC(C(=O)NC1C2CC3CC(C2)CC1C3)N4C(=C(C(=N4)C(F)(F)F)Br)C5CC5

InChI

InChI=1S/C20H25BrF3N3O/c1-9(27-17(12-2-3-12)15(21)18(26-27)20(22,23)24)19(28)25-16-13-5-10-4-11(7-13)8-14(16)6-10/h9-14,16H,2-8H2,1H3,(H,25,28)