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

Systemtic Name: (2-iodanylphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone Openeye Name: (2-iodophenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone CAS Name: (2-iodophenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-iodophenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone Traditional Name: (2-iodophenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazino]methanone Formula: C25H25IN4O3 MolecularWeight: 556.39547

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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=C4I

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)C(=O)C4=CC=CC=C4I

InChI

InChI=1S/C25H25IN4O3/c26-22-9-5-4-8-21(22)25(31)29-16-14-28(15-17-29)20-10-11-24(30(32)33)23(18-20)27-13-12-19-6-2-1-3-7-19/h1-11,18,27H,12-17H2