(3-bromophenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone

Systemtic Name: (3-bromophenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone CAS Name: (3-bromophenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (3-bromophenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone Traditional Name: (3-bromophenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazino]methanone Formula: C25H25BrN4O3 MolecularWeight: 509.395

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H25BrN4O3/c26-21-8-4-7-20(17-21)25(31)29-15-13-28(14-16-29)22-9-10-24(30(32)33)23(18-22)27-12-11-19-5-2-1-3-6-19/h1-10,17-18,27H,11-16H2