4-(4-ethanoyl-2-fluoranyl-phenyl)-N-(3-phenylprop-2-ynyl)piperazine-1-carboxamide

Systemtic Name: 4-(4-ethanoyl-2-fluoranyl-phenyl)-N-(3-phenylprop-2-ynyl)piperazine-1-carboxamide Openeye Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(3-phenylprop-2-ynyl)piperazine-1-carboxamide CAS Name: 4-(4-acetyl-2-fluorophenyl)-N-(3-phenylprop-2-ynyl)-1-piperazinecarboxamide IUPAC Name: 4-(4-acetyl-2-fluorophenyl)-N-(3-phenylprop-2-ynyl)piperazine-1-carboxamide Traditional Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(3-phenylprop-2-ynyl)piperazine-1-carboxamide Formula: C22H22FN3O2 MolecularWeight: 379.427383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)NCC#CC3=CC=CC=C3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)NCC#CC3=CC=CC=C3)F

InChI

InChI=1S/C22H22FN3O2/c1-17(27)19-9-10-21(20(23)16-19)25-12-14-26(15-13-25)22(28)24-11-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,16H,11-15H2,1H3,(H,24,28)