N-(2-adamantyl)-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(2-adamantyl)-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(2-adamantyl)-4-[4-(2-methylbenzoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(2-adamantyl)-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(2-adamantyl)-4-[4-(2-methylbenzoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(2-adamantyl)-3-nitro-4-(4-o-toluoylpiperazino)benzamide Formula: C29H34N4O4 MolecularWeight: 502.60466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4C5CC6CC(C5)CC4C6)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4C5CC6CC(C5)CC4C6)[N+](=O)[O-]

InChI

InChI=1S/C29H34N4O4/c1-18-4-2-3-5-24(18)29(35)32-10-8-31(9-11-32)25-7-6-21(17-26(25)33(36)37)28(34)30-27-22-13-19-12-20(15-22)16-23(27)14-19/h2-7,17,19-20,22-23,27H,8-16H2,1H3,(H,30,34)