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

Systemtic Name: methyl 4-[2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]propanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H23FN4O3 MolecularWeight: 410.441423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C22H23FN4O3/c1-15(21(28)25-17-8-6-16(7-9-17)22(29)30-2)26-10-12-27(13-11-26)20-5-3-4-19(23)18(20)14-24/h3-9,15H,10-13H2,1-2H3,(H,25,28)