ethyl 4-[3-[(3-bromophenyl)amino]-3-oxidanylidene-propyl]piperazine-1-carboxylate; hydron; chloride

Systemtic Name: ethyl 4-[3-[(3-bromophenyl)amino]-3-oxidanylidene-propyl]piperazine-1-carboxylate; hydron; chloride Openeye Name: ethyl 4-[3-(3-bromoanilino)-3-oxo-propyl]piperazine-1-carboxylate; hydron; chloride CAS Name: 4-[3-(3-bromoanilino)-3-oxopropyl]-1-piperazinecarboxylic acid ethyl ester; hydron; chloride IUPAC Name: ethyl 4-[3-(3-bromoanilino)-3-oxopropyl]piperazine-1-carboxylate; hydron; chloride Traditional Name: 4-[3-(3-bromoanilino)-3-keto-propyl]piperazine-1-carboxylic acid ethyl ester; hydron; chloride Formula: C16H23BrClN3O3 MolecularWeight: 420.72912

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC(=CC=C2)Br.[Cl-]

Isomeric SMILES

[H+].CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC(=CC=C2)Br.[Cl-]

InChI

InChI=1S/C16H22BrN3O3.ClH/c1-2-23-16(22)20-10-8-19(9-11-20)7-6-15(21)18-14-5-3-4-13(17)12-14;/h3-5,12H,2,6-11H2,1H3,(H,18,21);1H