N-(3-cyanothiophen-2-yl)-3-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-(4-fluorobenzoyl)piperazino]propionamide Formula: C19H19FN4O2S MolecularWeight: 386.443163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=C(C=CS2)C#N)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=C(C=CS2)C#N)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H19FN4O2S/c20-16-3-1-14(2-4-16)19(26)24-10-8-23(9-11-24)7-5-17(25)22-18-15(13-21)6-12-27-18/h1-4,6,12H,5,7-11H2,(H,22,25)