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

Systemtic Name: N-(1-adamantylmethyl)-3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Openeye Name: N-(1-adamantylmethyl)-3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide CAS Name: N-(1-adamantylmethyl)-3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propanamide IUPAC Name: N-(1-adamantylmethyl)-3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Traditional Name: N-(1-adamantylmethyl)-3-[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(=NN1CCC(=O)NCC23CC4CC(C2)CC(C4)C3)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NCC23CC4CC(C2)CC(C4)C3)C(F)(F)F)Br

InChI

InChI=1S/C19H25BrF3N3O/c1-11-16(20)17(19(21,22)23)25-26(11)3-2-15(27)24-10-18-7-12-4-13(8-18)6-14(5-12)9-18/h12-14H,2-10H2,1H3,(H,24,27)