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

Systemtic Name: N-[1-(1-adamantyl)propyl]-3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Openeye Name: N-[1-(1-adamantyl)propyl]-3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide CAS Name: N-[1-(1-adamantyl)propyl]-3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propanamide IUPAC Name: N-[1-(1-adamantyl)propyl]-3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Traditional Name: N-[1-(1-adamantyl)propyl]-3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propionamide Formula: C21H29BrF3N3O MolecularWeight: 476.37367

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C(=C(C(=N4)C(F)(F)F)Br)C

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C(=C(C(=N4)C(F)(F)F)Br)C

InChI

InChI=1S/C21H29BrF3N3O/c1-3-16(20-9-13-6-14(10-20)8-15(7-13)11-20)26-17(29)4-5-28-12(2)18(22)19(27-28)21(23,24)25/h13-16H,3-11H2,1-2H3,(H,26,29)