4-nitro-2-[[2-(5-oxidanyl-1H-indol-3-yl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide

Systemtic Name: 4-nitro-2-[[2-(5-oxidanyl-1H-indol-3-yl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide Openeye Name: 2-[[2-(5-hydroxy-1H-indol-3-yl)ethylamino]methyl]-4-nitro-N-(4-phenylbutyl)benzamide CAS Name: 2-[[2-(5-hydroxy-1H-indol-3-yl)ethylamino]methyl]-4-nitro-N-(4-phenylbutyl)benzamide IUPAC Name: 2-[[2-(5-hydroxy-1H-indol-3-yl)ethylamino]methyl]-4-nitro-N-(4-phenylbutyl)benzamide Traditional Name: 2-[[2-(5-hydroxy-1H-indol-3-yl)ethylamino]methyl]-4-nitro-N-(4-phenylbutyl)benzamide Formula: C28H30N4O4 MolecularWeight: 486.5622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])CNCCC3=CNC4=C3C=C(C=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])CNCCC3=CNC4=C3C=C(C=C4)O

InChI

InChI=1S/C28H30N4O4/c33-24-10-12-27-26(17-24)21(19-31-27)13-15-29-18-22-16-23(32(35)36)9-11-25(22)28(34)30-14-5-4-8-20-6-2-1-3-7-20/h1-3,6-7,9-12,16-17,19,29,31,33H,4-5,8,13-15,18H2,(H,30,34)