1-benzofuran-2-yl-[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: 1-benzofuran-2-yl-[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: 2-benzofuranyl-[4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: benzofuran-2-yl-[4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazino]methanone Formula: C24H22N4O5 MolecularWeight: 446.45528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C24H22N4O5/c29-24(23-14-17-4-1-2-6-22(17)33-23)27-11-9-26(10-12-27)18-7-8-21(28(30)31)20(15-18)25-16-19-5-3-13-32-19/h1-8,13-15,25H,9-12,16H2