ethyl 4-[2-(5-bromanyl-2-oxidanylidene-pyridin-1-yl)-3-oxidanylidene-3-phenyl-propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(5-bromanyl-2-oxidanylidene-pyridin-1-yl)-3-oxidanylidene-3-phenyl-propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(5-bromo-2-oxo-1-pyridyl)-3-oxo-3-phenyl-propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-(5-bromo-2-oxo-1-pyridinyl)-1,3-dioxo-3-phenylpropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-bromo-2-oxopyridin-1-yl)-3-oxo-3-phenylpropanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(5-bromo-2-keto-1-pyridyl)-3-keto-3-phenyl-propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H22BrN3O5 MolecularWeight: 476.32048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C(=O)C2=CC=CC=C2)N3C=C(C=CC3=O)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(C(=O)C2=CC=CC=C2)N3C=C(C=CC3=O)Br

InChI

InChI=1S/C21H22BrN3O5/c1-2-30-21(29)24-12-10-23(11-13-24)20(28)18(19(27)15-6-4-3-5-7-15)25-14-16(22)8-9-17(25)26/h3-9,14,18H,2,10-13H2,1H3