2-chloranyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]propanamide

Systemtic Name: 2-chloranyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]propanamide Openeye Name: 2-chloro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]propanamide CAS Name: 2-chloro-N-[4-[4-(3,5,5-trimethyl-1-oxohexyl)-1-piperazinyl]phenyl]propanamide IUPAC Name: 2-chloro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]propanamide Traditional Name: 2-chloro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazino]phenyl]propionamide Formula: C22H34ClN3O2 MolecularWeight: 407.97726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34ClN3O2/c1-16(15-22(3,4)5)14-20(27)26-12-10-25(11-13-26)19-8-6-18(7-9-19)24-21(28)17(2)23/h6-9,16-17H,10-15H2,1-5H3,(H,24,28)