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

Systemtic Name: 2-bromanyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 2-bromo-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide CAS Name: 2-bromo-N-[4-[4-(3,5,5-trimethyl-1-oxohexyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 2-bromo-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 2-bromo-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazino]phenyl]benzamide Formula: C26H34BrN3O2 MolecularWeight: 500.47106

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br)CC(C)(C)C

InChI

InChI=1S/C26H34BrN3O2/c1-19(18-26(2,3)4)17-24(31)30-15-13-29(14-16-30)21-11-9-20(10-12-21)28-25(32)22-7-5-6-8-23(22)27/h5-12,19H,13-18H2,1-4H3,(H,28,32)