2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]-N-[(4-methylphenyl)carbamoyl]ethanamide

Systemtic Name: 2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]-N-[(4-methylphenyl)carbamoyl]ethanamide Openeye Name: 2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-yl]-N-(p-tolylcarbamoyl)acetamide CAS Name: 2-[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]-N-[(4-methylanilino)-oxomethyl]acetamide IUPAC Name: 2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)carbamoyl]acetamide Traditional Name: 2-[4-(2-cyano-3-fluoro-phenyl)piperazino]-N-(p-tolylcarbamoyl)acetamide Formula: C21H22FN5O2 MolecularWeight: 395.430083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC(=O)CN2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC(=O)CN2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C21H22FN5O2/c1-15-5-7-16(8-6-15)24-21(29)25-20(28)14-26-9-11-27(12-10-26)19-4-2-3-18(22)17(19)13-23/h2-8H,9-12,14H2,1H3,(H2,24,25,28,29)