methyl 5-[[4-(1-adamantylcarbamoylamino)pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(1-adamantylcarbamoylamino)pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(1-adamantylcarbamoylamino)pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[(1-adamantylamino)-oxomethyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(1-adamantylcarbamoylamino)pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(1-adamantylcarbamoylamino)pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N4O4/c1-28-19(26)18-3-2-17(29-18)12-25-11-16(10-22-25)23-20(27)24-21-7-13-4-14(8-21)6-15(5-13)9-21/h2-3,10-11,13-15H,4-9,12H2,1H3,(H2,23,24,27)