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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C(=C(C(=N4)C(F)(F)F)Br)C5CC5

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C(=C(C(=N4)C(F)(F)F)Br)C5CC5

InChI

InChI=1S/C23H31BrF3N3O/c1-2-17(22-10-13-7-14(11-22)9-15(8-13)12-22)28-18(31)5-6-30-20(16-3-4-16)19(24)21(29-30)23(25,26)27/h13-17H,2-12H2,1H3,(H,28,31)