[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H28N4O4/c29-21(26-23(31)27-24-10-16-6-17(11-24)8-18(7-16)12-24)15-32-22(30)9-19-13-25-28(14-19)20-4-2-1-3-5-20/h1-5,13-14,16-18H,6-12,15H2,(H2,26,27,29,31)