N-[2-(4-decanoylpiperazin-1-yl)ethyl]-N-[(4-fluorophenyl)methyl]-2-methyl-benzamide

Systemtic Name: N-[2-(4-decanoylpiperazin-1-yl)ethyl]-N-[(4-fluorophenyl)methyl]-2-methyl-benzamide Openeye Name: N-[2-(4-decanoylpiperazin-1-yl)ethyl]-N-[(4-fluorophenyl)methyl]-2-methyl-benzamide CAS Name: N-[(4-fluorophenyl)methyl]-2-methyl-N-[2-[4-(1-oxodecyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: N-[2-(4-decanoylpiperazin-1-yl)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide Traditional Name: N-[2-(4-caprylpiperazino)ethyl]-N-(4-fluorobenzyl)-2-methyl-benzamide Formula: C31H44FN3O2 MolecularWeight: 509.698363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)N1CCN(CC1)CCN(CC2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCCCCCCC(=O)N1CCN(CC1)CCN(CC2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C31H44FN3O2/c1-3-4-5-6-7-8-9-14-30(36)34-22-19-33(20-23-34)21-24-35(25-27-15-17-28(32)18-16-27)31(37)29-13-11-10-12-26(29)2/h10-13,15-18H,3-9,14,19-25H2,1-2H3