[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C18H20BrClN2O3 MolecularWeight: 427.72

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=C(N=CC=C4)Cl

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=C(N=CC=C4)Cl

InChI

InChI=1S/C18H20BrClN2O3/c19-18-7-11-4-12(8-18)6-17(5-11,10-18)16(24)25-9-14(23)22-13-2-1-3-21-15(13)20/h1-3,11-12H,4-10H2,(H,22,23)