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

Systemtic Name: (3-bromophenyl)-[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (3-bromophenyl)-[4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (3-bromophenyl)-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (3-bromophenyl)-[4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazino]methanone Formula: C22H21BrN4O4 MolecularWeight: 485.33054

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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=CC(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN4O4/c23-17-4-1-3-16(13-17)22(28)26-10-8-25(9-11-26)18-6-7-21(27(29)30)20(14-18)24-15-19-5-2-12-31-19/h1-7,12-14,24H,8-11,15H2