N-(2-ethanoylpiperazin-1-yl)-4-fluoranyl-benzamide hydrate

Systemtic Name: N-(2-ethanoylpiperazin-1-yl)-4-fluoranyl-benzamide hydrate Openeye Name: N-(2-acetylpiperazin-1-yl)-4-fluoro-benzamide hydrate CAS Name: N-(2-acetyl-1-piperazinyl)-4-fluorobenzamide hydrate IUPAC Name: N-(2-acetylpiperazin-1-yl)-4-fluorobenzamide hydrate Traditional Name: N-(2-acetylpiperazino)-4-fluoro-benzamide hydrate Formula: C13H18FN3O3 MolecularWeight: 283.298723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CNCCN1NC(=O)C2=CC=C(C=C2)F.O

Isomeric SMILES

CC(=O)C1CNCCN1NC(=O)C2=CC=C(C=C2)F.O

InChI

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