[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-oxidanylidene-2-(1,3,5-trimethylpyrazol-4-yl)ethanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-oxidanylidene-2-(1,3,5-trimethylpyrazol-4-yl)ethanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetate CAS Name: 2-oxo-2-(1,3,5-trimethyl-4-pyrazolyl)acetic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetate Traditional Name: 2-keto-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N4O5/c1-11-17(12(2)25(3)24-11)18(27)19(28)30-10-16(26)22-20(29)23-21-7-13-4-14(8-21)6-15(5-13)9-21/h13-15H,4-10H2,1-3H3,(H2,22,23,26,29)