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

Systemtic Name: methyl 3-[(4-cyano-2-fluoranyl-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H23FN4O4 MolecularWeight: 486.494323

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Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C27H23FN4O4/c1-36-27(35)20-8-10-24(23(16-20)30-25(33)21-9-7-18(17-29)15-22(21)28)31-11-13-32(14-12-31)26(34)19-5-3-2-4-6-19/h2-10,15-16H,11-14H2,1H3,(H,30,33)