[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H22Cl2N2O3 MolecularWeight: 397.29558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

InChI

InChI=1S/C19H22Cl2N2O3/c1-11(16(24)23-15-3-2-14(20)9-22-15)26-17(25)18-5-12-4-13(6-18)8-19(21,7-12)10-18/h2-3,9,11-13H,4-8,10H2,1H3,(H,22,23,24)