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

Systemtic Name: ethyl 4-[3-[(4-bromanyl-3-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperazine-1-carboxylate hydrochloride Openeye Name: ethyl 4-[3-(4-bromo-3-methyl-anilino)-3-oxo-propyl]piperazine-1-carboxylate hydrochloride CAS Name: 4-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-1-piperazinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[3-(4-bromo-3-methylanilino)-3-oxopropyl]piperazine-1-carboxylate hydrochloride Traditional Name: 4-[3-(4-bromo-3-methyl-anilino)-3-keto-propyl]piperazine-1-carboxylic acid ethyl ester hydrochloride Formula: C17H25BrClN3O3 MolecularWeight: 434.7557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrN3O3.ClH/c1-3-24-17(23)21-10-8-20(9-11-21)7-6-16(22)19-14-4-5-15(18)13(2)12-14;/h4-5,12H,3,6-11H2,1-2H3,(H,19,22);1H