N-(2-adamantyl)-5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxamide

Systemtic Name: N-(2-adamantyl)-5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxamide Openeye Name: N-(2-adamantyl)-5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxamide CAS Name: N-(2-adamantyl)-5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-2-furancarboxamide IUPAC Name: N-(2-adamantyl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide Traditional Name: N-(2-adamantyl)-5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furamide Formula: C21H26BrN3O2 MolecularWeight: 432.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3C4CC5CC(C4)CC3C5)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3C4CC5CC(C4)CC3C5)C)Br

InChI

InChI=1S/C21H26BrN3O2/c1-11-19(22)12(2)25(24-11)10-17-3-4-18(27-17)21(26)23-20-15-6-13-5-14(8-15)9-16(20)7-13/h3-4,13-16,20H,5-10H2,1-2H3,(H,23,26)