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

Systemtic Name: N-(1-adamantyl)-4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(1-adamantyl)-3-nitro-4-(4-p-anisoylpiperazino)benzamide Formula: C29H34N4O5 MolecularWeight: 518.60406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C29H34N4O5/c1-38-24-5-2-22(3-6-24)28(35)32-10-8-31(9-11-32)25-7-4-23(15-26(25)33(36)37)27(34)30-29-16-19-12-20(17-29)14-21(13-19)18-29/h2-7,15,19-21H,8-14,16-18H2,1H3,(H,30,34)