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

Systemtic Name: 3-nitro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 3-nitro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide CAS Name: 3-nitro-N-[4-[4-(3,5,5-trimethyl-1-oxohexyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 3-nitro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 3-nitro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazino]phenyl]benzamide Formula: C26H34N4O4 MolecularWeight: 466.57256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])CC(C)(C)C

Isomeric SMILES

CC(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])CC(C)(C)C

InChI

InChI=1S/C26H34N4O4/c1-19(18-26(2,3)4)16-24(31)29-14-12-28(13-15-29)22-10-8-21(9-11-22)27-25(32)20-6-5-7-23(17-20)30(33)34/h5-11,17,19H,12-16,18H2,1-4H3,(H,27,32)