4-ethyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide

Systemtic Name: 4-ethyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 4-ethyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide CAS Name: 4-ethyl-N-[4-[4-(3,5,5-trimethyl-1-oxohexyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 4-ethyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 4-ethyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazino]phenyl]benzamide Formula: C28H39N3O2 MolecularWeight: 449.62816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C28H39N3O2/c1-6-22-7-9-23(10-8-22)27(33)29-24-11-13-25(14-12-24)30-15-17-31(18-16-30)26(32)19-21(2)20-28(3,4)5/h7-14,21H,6,15-20H2,1-5H3,(H,29,33)