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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4C5CC6CC(C5)CC4C6)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4C5CC6CC(C5)CC4C6)[N+](=O)[O-]

InChI

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