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

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C20H28BrN3O3 MolecularWeight: 438.35862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28BrN3O3/c1-13(2)24-16(3-4-22-24)23-17(25)11-27-18(26)10-19-6-14-5-15(7-19)9-20(21,8-14)12-19/h3-4,13-15H,5-12H2,1-2H3,(H,23,25)