2-[3-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]propanoylamino]-N-phenyl-benzamide

Systemtic Name: 2-[3-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]propanoylamino]-N-phenyl-benzamide Openeye Name: 2-[3-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-yl]propanoylamino]-N-phenyl-benzamide CAS Name: 2-[[3-[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]-1-oxopropyl]amino]-N-phenylbenzamide IUPAC Name: 2-[3-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]propanoylamino]-N-phenylbenzamide Traditional Name: 2-[3-[4-(2-cyano-3-fluoro-phenyl)piperazino]propanoylamino]-N-phenyl-benzamide Formula: C27H26FN5O2 MolecularWeight: 471.526043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C4=C(C(=CC=C4)F)C#N

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C4=C(C(=CC=C4)F)C#N

InChI

InChI=1S/C27H26FN5O2/c28-23-10-6-12-25(22(23)19-29)33-17-15-32(16-18-33)14-13-26(34)31-24-11-5-4-9-21(24)27(35)30-20-7-2-1-3-8-20/h1-12H,13-18H2,(H,30,35)(H,31,34)