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

Systemtic Name: N-(1-adamantylmethyl)-2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Openeye Name: N-(1-adamantylmethyl)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide CAS Name: N-(1-adamantylmethyl)-2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propanamide IUPAC Name: N-(1-adamantylmethyl)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Traditional Name: N-(1-adamantylmethyl)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propionamide Formula: C19H25BrF3N3O MolecularWeight: 448.32051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NCC23CC4CC(C2)CC(C4)C3)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NCC23CC4CC(C2)CC(C4)C3)C(F)(F)F)Br

InChI

InChI=1S/C19H25BrF3N3O/c1-10-15(20)16(19(21,22)23)25-26(10)11(2)17(27)24-9-18-6-12-3-13(7-18)5-14(4-12)8-18/h11-14H,3-9H2,1-2H3,(H,24,27)