ethyl 4-[4-chloranyl-2-[(4-fluorophenyl)carbonylamino]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-chloranyl-2-[(4-fluorophenyl)carbonylamino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-chloro-2-[(4-fluorobenzoyl)amino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-chloro-2-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-chloro-2-[(4-fluorobenzoyl)amino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-chloro-2-[(4-fluorobenzoyl)amino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H21ClFN3O4 MolecularWeight: 433.860543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21ClFN3O4/c1-2-30-21(29)26-11-9-25(10-12-26)20(28)17-8-5-15(22)13-18(17)24-19(27)14-3-6-16(23)7-4-14/h3-8,13H,2,9-12H2,1H3,(H,24,27)