methyl 5-[[4-[(3-bromanyl-1-adamantyl)carbonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(3-bromanyl-1-adamantyl)carbonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(3-bromoadamantane-1-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[(3-bromo-1-adamantyl)-oxomethyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(3-bromoadamantane-1-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(3-bromoadamantane-1-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H24BrN3O4 MolecularWeight: 462.33696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C21H24BrN3O4/c1-28-18(26)17-3-2-16(29-17)11-25-10-15(9-23-25)24-19(27)20-5-13-4-14(6-20)8-21(22,7-13)12-20/h2-3,9-10,13-14H,4-8,11-12H2,1H3,(H,24,27)