N-[2-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-yl]ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-yl]ethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide CAS Name: N-[2-[4-[(3,5-dimethylphenyl)-oxomethyl]-1-piperazinyl]ethyl]-4-fluorobenzamide IUPAC Name: N-[2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide Traditional Name: N-[2-[4-(3,5-dimethylbenzoyl)piperazino]ethyl]-4-fluoro-benzamide Formula: C22H26FN3O2 MolecularWeight: 383.459143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H26FN3O2/c1-16-13-17(2)15-19(14-16)22(28)26-11-9-25(10-12-26)8-7-24-21(27)18-3-5-20(23)6-4-18/h3-6,13-15H,7-12H2,1-2H3,(H,24,27)