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

Systemtic Name: 3,5-dinitro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 3,5-dinitro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide CAS Name: 3,5-dinitro-N-[4-[4-(3,5,5-trimethyl-1-oxohexyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 3,5-dinitro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 3,5-dinitro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazino]phenyl]benzamide Formula: C26H33N5O6 MolecularWeight: 511.57012

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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(=C3)[N+](=O)[O-])[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-])[N+](=O)[O-])CC(C)(C)C

InChI

InChI=1S/C26H33N5O6/c1-18(17-26(2,3)4)13-24(32)29-11-9-28(10-12-29)21-7-5-20(6-8-21)27-25(33)19-14-22(30(34)35)16-23(15-19)31(36)37/h5-8,14-16,18H,9-13,17H2,1-4H3,(H,27,33)