3,5,5-trimethyl-N-[4-(4-octanoylpiperazin-1-yl)phenyl]hexanamide

Systemtic Name: 3,5,5-trimethyl-N-[4-(4-octanoylpiperazin-1-yl)phenyl]hexanamide Openeye Name: 3,5,5-trimethyl-N-[4-(4-octanoylpiperazin-1-yl)phenyl]hexanamide CAS Name: 3,5,5-trimethyl-N-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]hexanamide IUPAC Name: 3,5,5-trimethyl-N-[4-(4-octanoylpiperazin-1-yl)phenyl]hexanamide Traditional Name: N-[4-(4-caprylylpiperazino)phenyl]-3,5,5-trimethyl-hexanamide Formula: C27H45N3O2 MolecularWeight: 443.6651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45N3O2/c1-6-7-8-9-10-11-26(32)30-18-16-29(17-19-30)24-14-12-23(13-15-24)28-25(31)20-22(2)21-27(3,4)5/h12-15,22H,6-11,16-21H2,1-5H3,(H,28,31)