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

Systemtic Name: N-(1-adamantylmethyl)-3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Openeye Name: N-(1-adamantylmethyl)-3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide CAS Name: N-(1-adamantylmethyl)-3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]propanamide IUPAC Name: N-(1-adamantylmethyl)-3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Traditional Name: N-(1-adamantylmethyl)-3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propionamide Formula: C21H27BrF3N3O MolecularWeight: 474.35779

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=NN2CCC(=O)NCC34CC5CC(C3)CC(C5)C4)C(F)(F)F)Br

Isomeric SMILES

C1CC1C2=C(C(=NN2CCC(=O)NCC34CC5CC(C3)CC(C5)C4)C(F)(F)F)Br

InChI

InChI=1S/C21H27BrF3N3O/c22-17-18(15-1-2-15)28(27-19(17)21(23,24)25)4-3-16(29)26-11-20-8-12-5-13(9-20)7-14(6-12)10-20/h12-15H,1-11H2,(H,26,29)