2-(1-adamantyl)-1-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-[4-nitro-3-(phenethylamino)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-[4-nitro-3-(phenethylamino)phenyl]piperazino]ethanone Formula: C30H38N4O3 MolecularWeight: 502.64772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)C(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)C(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H38N4O3/c35-29(21-30-18-23-14-24(19-30)16-25(15-23)20-30)33-12-10-32(11-13-33)26-6-7-28(34(36)37)27(17-26)31-9-8-22-4-2-1-3-5-22/h1-7,17,23-25,31H,8-16,18-21H2