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

Systemtic Name: (2-bromophenyl)-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone Openeye Name: (2-bromophenyl)-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazin-1-yl]methanone CAS Name: (2-bromophenyl)-[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-bromophenyl)-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone Traditional Name: (2-bromophenyl)-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazino]methanone Formula: C23H22BrN5O3 MolecularWeight: 496.35648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)C(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)C(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C23H22BrN5O3/c24-20-6-2-1-5-19(20)23(30)28-12-10-27(11-13-28)18-7-8-22(29(31)32)21(14-18)26-16-17-4-3-9-25-15-17/h1-9,14-15,26H,10-13,16H2