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

Systemtic Name: 2-(1-adamantyl)-1-[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazino]ethanone Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)C(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)C(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H34N4O4/c32-26(17-27-14-19-10-20(15-27)12-21(11-19)16-27)30-7-5-29(6-8-30)22-3-4-25(31(33)34)24(13-22)28-18-23-2-1-9-35-23/h1-4,9,13,19-21,28H,5-8,10-12,14-18H2