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

Systemtic Name: 2-(1-adamantyl)-1-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-[3-(cyclopropylamino)-4-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazino]ethanone Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)CC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)CC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C25H34N4O3/c30-24(16-25-13-17-9-18(14-25)11-19(10-17)15-25)28-7-5-27(6-8-28)21-3-4-23(29(31)32)22(12-21)26-20-1-2-20/h3-4,12,17-20,26H,1-2,5-11,13-16H2