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

Systemtic Name: N-[1-(1-adamantyl)propyl]-2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamide Openeye Name: N-[1-(1-adamantyl)propyl]-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide CAS Name: N-[1-(1-adamantyl)propyl]-2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]acetamide IUPAC Name: N-[1-(1-adamantyl)propyl]-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide Traditional Name: N-[1-(1-adamantyl)propyl]-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide Formula: C20H27BrF3N3O MolecularWeight: 462.34709

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrF3N3O/c1-3-15(19-7-12-4-13(8-19)6-14(5-12)9-19)25-16(28)10-27-11(2)17(21)18(26-27)20(22,23)24/h12-15H,3-10H2,1-2H3,(H,25,28)