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

Systemtic Name: N-(1-adamantyl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-(1-adamantyl)-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-(1-adamantyl)-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-(1-adamantyl)-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(1-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)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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