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

Systemtic Name: 1-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[4-nitro-3-(phenethylamino)phenyl]-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]-2-phenylethanone Traditional Name: 1-[4-[4-nitro-3-(phenethylamino)phenyl]piperazino]-2-phenyl-ethanone Formula: C26H28N4O3 MolecularWeight: 444.52552

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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)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c31-26(19-22-9-5-2-6-10-22)29-17-15-28(16-18-29)23-11-12-25(30(32)33)24(20-23)27-14-13-21-7-3-1-4-8-21/h1-12,20,27H,13-19H2