N-(2-adamantyl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(2-adamantyl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-(2-adamantyl)-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-(2-adamantyl)-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-(2-adamantyl)-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(2-adamantyl)-3-nitro-benzamide Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4/c1-14(28)25-4-6-26(7-5-25)20-3-2-17(13-21(20)27(30)31)23(29)24-22-18-9-15-8-16(11-18)12-19(22)10-15/h2-3,13,15-16,18-19,22H,4-12H2,1H3,(H,24,29)