ethyl 4-[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate hydrochloride

Systemtic Name: ethyl 4-[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate hydrochloride Openeye Name: ethyl 4-[2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl]piperazine-1-carboxylate hydrochloride CAS Name: 4-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperazine-1-carboxylate hydrochloride Traditional Name: 4-[2-(3-bromo-4-methyl-anilino)-2-keto-ethyl]piperazine-1-carboxylic acid ethyl ester hydrochloride Formula: C16H23BrClN3O3 MolecularWeight: 420.72912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN3O3.ClH/c1-3-23-16(22)20-8-6-19(7-9-20)11-15(21)18-13-5-4-12(2)14(17)10-13;/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,21);1H