N-ethyl-4-[4-(3,5,5-trimethylhexanoylamino)phenyl]piperazine-1-carboxamide

Systemtic Name: N-ethyl-4-[4-(3,5,5-trimethylhexanoylamino)phenyl]piperazine-1-carboxamide Openeye Name: N-ethyl-4-[4-(3,5,5-trimethylhexanoylamino)phenyl]piperazine-1-carboxamide CAS Name: N-ethyl-4-[4-[(3,5,5-trimethyl-1-oxohexyl)amino]phenyl]-1-piperazinecarboxamide IUPAC Name: N-ethyl-4-[4-(3,5,5-trimethylhexanoylamino)phenyl]piperazine-1-carboxamide Traditional Name: N-ethyl-4-[4-(3,5,5-trimethylhexanoylamino)phenyl]piperazine-1-carboxamide Formula: C22H36N4O2 MolecularWeight: 388.54684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CCNC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C22H36N4O2/c1-6-23-21(28)26-13-11-25(12-14-26)19-9-7-18(8-10-19)24-20(27)15-17(2)16-22(3,4)5/h7-10,17H,6,11-16H2,1-5H3,(H,23,28)(H,24,27)