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

Systemtic Name: N-[1-(1-adamantyl)propyl]-2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Openeye Name: N-[1-(1-adamantyl)propyl]-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide CAS Name: N-[1-(1-adamantyl)propyl]-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]propanamide IUPAC Name: N-[1-(1-adamantyl)propyl]-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Traditional Name: N-[1-(1-adamantyl)propyl]-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propionamide Formula: C23H31BrF3N3O MolecularWeight: 502.41095

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C(C)N4C(=C(C(=N4)C(F)(F)F)Br)C5CC5

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C(C)N4C(=C(C(=N4)C(F)(F)F)Br)C5CC5

InChI

InChI=1S/C23H31BrF3N3O/c1-3-17(22-9-13-6-14(10-22)8-15(7-13)11-22)28-21(31)12(2)30-19(16-4-5-16)18(24)20(29-30)23(25,26)27/h12-17H,3-11H2,1-2H3,(H,28,31)