N-(1-adamantyl)-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(1-adamantyl)-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(1-adamantyl)-3-nitro-4-(4-pivaloylpiperazino)benzamide Formula: C26H36N4O4 MolecularWeight: 468.58844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C26H36N4O4/c1-25(2,3)24(32)29-8-6-28(7-9-29)21-5-4-20(13-22(21)30(33)34)23(31)27-26-14-17-10-18(15-26)12-19(11-17)16-26/h4-5,13,17-19H,6-12,14-16H2,1-3H3,(H,27,31)