N-(4-ethanoylpiperazin-1-yl)-4-fluoranyl-benzamide hydrate

Systemtic Name: N-(4-ethanoylpiperazin-1-yl)-4-fluoranyl-benzamide hydrate Openeye Name: N-(4-acetylpiperazin-1-yl)-4-fluoro-benzamide hydrate CAS Name: N-(4-acetyl-1-piperazinyl)-4-fluorobenzamide hydrate IUPAC Name: N-(4-acetylpiperazin-1-yl)-4-fluorobenzamide hydrate Traditional Name: N-(4-acetylpiperazino)-4-fluoro-benzamide hydrate Formula: C13H18FN3O3 MolecularWeight: 283.298723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)NC(=O)C2=CC=C(C=C2)F.O

Isomeric SMILES

CC(=O)N1CCN(CC1)NC(=O)C2=CC=C(C=C2)F.O

InChI

InChI=1S/C13H16FN3O2.H2O/c1-10(18)16-6-8-17(9-7-16)15-13(19)11-2-4-12(14)5-3-11;/h2-5H,6-9H2,1H3,(H,15,19);1H2