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

Systemtic Name: 4-(4-ethanoyl-2-fluoranyl-phenyl)-N-prop-2-ynyl-piperazine-1-carboxamide Openeye Name: 4-(4-acetyl-2-fluoro-phenyl)-N-prop-2-ynyl-piperazine-1-carboxamide CAS Name: 4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynyl-1-piperazinecarboxamide IUPAC Name: 4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide Traditional Name: 4-(4-acetyl-2-fluoro-phenyl)-N-propargyl-piperazine-1-carboxamide Formula: C16H18FN3O2 MolecularWeight: 303.331423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FN3O2/c1-3-6-18-16(22)20-9-7-19(8-10-20)15-5-4-13(12(2)21)11-14(15)17/h1,4-5,11H,6-10H2,2H3,(H,18,22)