[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H24BrClN2O3 MolecularWeight: 455.77316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H24BrClN2O3/c1-12(18(26)24-16-3-2-15(22)10-23-16)27-17(25)9-19-5-13-4-14(6-19)8-20(21,7-13)11-19/h2-3,10,12-14H,4-9,11H2,1H3,(H,23,24,26)