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

Systemtic Name: N-(1-adamantyl)-5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxamide Openeye Name: N-(1-adamantyl)-5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxamide CAS Name: N-(1-adamantyl)-5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-2-furancarboxamide IUPAC Name: N-(1-adamantyl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide Traditional Name: N-(1-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)NC34CC5CC(C3)CC(C5)C4)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC34CC5CC(C3)CC(C5)C4)C)Br

InChI

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