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

Systemtic Name: 4-pentyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 4-pentyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide CAS Name: 4-pentyl-N-[4-[4-(3,5,5-trimethyl-1-oxohexyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 4-pentyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 4-amyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazino]phenyl]benzamide Formula: C31H45N3O2 MolecularWeight: 491.7079

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C31H45N3O2/c1-6-7-8-9-25-10-12-26(13-11-25)30(36)32-27-14-16-28(17-15-27)33-18-20-34(21-19-33)29(35)22-24(2)23-31(3,4)5/h10-17,24H,6-9,18-23H2,1-5H3,(H,32,36)