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

Systemtic Name: ethyl 4-[2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]propanoylamino]benzoate Openeye Name: ethyl 4-[2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-yl]propanoylamino]benzoate CAS Name: 4-[[2-[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate Traditional Name: 4-[2-[4-(2-cyano-3-fluoro-phenyl)piperazino]propanoylamino]benzoic acid ethyl ester Formula: C23H25FN4O3 MolecularWeight: 424.468003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN4O3/c1-3-31-23(30)17-7-9-18(10-8-17)26-22(29)16(2)27-11-13-28(14-12-27)21-6-4-5-20(24)19(21)15-25/h4-10,16H,3,11-14H2,1-2H3,(H,26,29)