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

Systemtic Name: N-(2-adamantyl)-3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Openeye Name: N-(2-adamantyl)-3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide CAS Name: N-(2-adamantyl)-3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propanamide IUPAC Name: N-(2-adamantyl)-3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Traditional Name: N-(2-adamantyl)-3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propionamide Formula: C18H23BrF3N3O MolecularWeight: 434.29393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2C3CC4CC(C3)CC2C4)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2C3CC4CC(C3)CC2C4)C(F)(F)F)Br

InChI

InChI=1S/C18H23BrF3N3O/c1-9-15(19)17(18(20,21)22)24-25(9)3-2-14(26)23-16-12-5-10-4-11(7-12)8-13(16)6-10/h10-13,16H,2-8H2,1H3,(H,23,26)