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

Systemtic Name: N-(1-adamantyl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(1-adamantyl)-4-(4-isobutyrylpiperazino)-3-nitro-benzamide Formula: C25H34N4O4 MolecularWeight: 454.56186

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H34N4O4/c1-16(2)24(31)28-7-5-27(6-8-28)21-4-3-20(12-22(21)29(32)33)23(30)26-25-13-17-9-18(14-25)11-19(10-17)15-25/h3-4,12,16-19H,5-11,13-15H2,1-2H3,(H,26,30)