ethyl 4-[2-[(2-chloranyl-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-chloranyl-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2-chloro-5-methyl-anilino)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(2-chloro-5-methylanilino)-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-chloro-5-methylanilino)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-chloro-5-methyl-anilino)-2-keto-ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H22ClN3O3 MolecularWeight: 339.81718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)C)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)C)Cl

InChI

InChI=1S/C16H22ClN3O3/c1-3-23-16(22)20-8-6-19(7-9-20)11-15(21)18-14-10-12(2)4-5-13(14)17/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,21)