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

Systemtic Name: 4-methyl-3-nitro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 4-methyl-3-nitro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide CAS Name: 4-methyl-3-nitro-N-[4-[4-(3,5,5-trimethyl-1-oxohexyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 4-methyl-3-nitro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazino]phenyl]benzamide Formula: C27H36N4O4 MolecularWeight: 480.59914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)CC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)CC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H36N4O4/c1-19(18-27(3,4)5)16-25(32)30-14-12-29(13-15-30)23-10-8-22(9-11-23)28-26(33)21-7-6-20(2)24(17-21)31(34)35/h6-11,17,19H,12-16,18H2,1-5H3,(H,28,33)