ethyl 3-[(4-cyano-2-fluoranyl-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(4-cyano-2-fluoranyl-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-cyano-2-fluoro-benzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(4-cyano-2-fluorophenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-cyano-2-fluorobenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(4-cyano-2-fluoro-benzoyl)amino]benzoic acid ethyl ester Formula: C28H25FN4O4 MolecularWeight: 500.520903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C28H25FN4O4/c1-2-37-28(36)21-9-11-25(24(17-21)31-26(34)22-10-8-19(18-30)16-23(22)29)32-12-14-33(15-13-32)27(35)20-6-4-3-5-7-20/h3-11,16-17H,2,12-15H2,1H3,(H,31,34)