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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-]

InChI

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