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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)C(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)C(=O)C4=CC=CC=C4Br

InChI

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