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

Systemtic Name: ethyl 4-[1-[(4-bromanyl-3-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-bromo-3-methyl-anilino)-1-methyl-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[1-(4-bromo-3-methylanilino)-1-oxopropan-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-bromo-3-methylanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-bromo-3-methyl-anilino)-2-keto-1-methyl-ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H24BrN3O3 MolecularWeight: 398.29476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrN3O3/c1-4-24-17(23)21-9-7-20(8-10-21)13(3)16(22)19-14-5-6-15(18)12(2)11-14/h5-6,11,13H,4,7-10H2,1-3H3,(H,19,22)