[1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(1-adamantyl)ethanoate

Systemtic Name: [1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(1-adamantyl)ethanoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [1-oxo-1-[(2-propan-2-yl-3-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31N3O3/c1-13(2)24-18(4-5-22-24)23-20(26)14(3)27-19(25)12-21-9-15-6-16(10-21)8-17(7-15)11-21/h4-5,13-17H,6-12H2,1-3H3,(H,23,26)