3-[4-(azocan-1-yl)-3-nitro-phenyl]-3-[2-(4-bromophenyl)ethanoylamino]propanamide

Systemtic Name: 3-[4-(azocan-1-yl)-3-nitro-phenyl]-3-[2-(4-bromophenyl)ethanoylamino]propanamide Openeye Name: 3-[4-(azocan-1-yl)-3-nitro-phenyl]-3-[[2-(4-bromophenyl)acetyl]amino]propanamide CAS Name: 3-[4-(1-azocanyl)-3-nitrophenyl]-3-[[2-(4-bromophenyl)-1-oxoethyl]amino]propanamide IUPAC Name: 3-[4-(azocan-1-yl)-3-nitrophenyl]-3-[[2-(4-bromophenyl)acetyl]amino]propanamide Traditional Name: 3-[4-(azocan-1-yl)-3-nitro-phenyl]-3-[[2-(4-bromophenyl)acetyl]amino]propionamide Formula: C24H29BrN4O4 MolecularWeight: 517.41546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C24H29BrN4O4/c25-19-9-6-17(7-10-19)14-24(31)27-20(16-23(26)30)18-8-11-21(22(15-18)29(32)33)28-12-4-2-1-3-5-13-28/h6-11,15,20H,1-5,12-14,16H2,(H2,26,30)(H,27,31)