1-benzofuran-2-yl-[4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: 1-benzofuran-2-yl-[4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: 2-benzofuranyl-[4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: benzofuran-2-yl-[4-[3-(neopentylamino)-4-nitro-phenyl]piperazino]methanone Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O4/c1-24(2,3)16-25-19-15-18(8-9-20(19)28(30)31)26-10-12-27(13-11-26)23(29)22-14-17-6-4-5-7-21(17)32-22/h4-9,14-15,25H,10-13,16H2,1-3H3