2-[(4-fluorophenyl)methyl]-N-(2-methoxy-5-nitro-phenyl)-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-[(4-fluorophenyl)methyl]-N-(2-methoxy-5-nitro-phenyl)-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-[(4-fluorophenyl)methyl]-N-(2-methoxy-5-nitro-phenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-[(4-fluorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-[(4-fluorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 2-(4-fluorobenzyl)-1-keto-N-(2-methoxy-5-nitro-phenyl)-3-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C31H26FN3O6 MolecularWeight: 555.553043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C(=O)NC5=C(C=CC(=C5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C(=O)NC5=C(C=CC(=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C31H26FN3O6/c1-40-23-14-9-20(10-15-23)29-28(30(36)33-26-17-22(35(38)39)13-16-27(26)41-2)24-5-3-4-6-25(24)31(37)34(29)18-19-7-11-21(32)12-8-19/h3-17,28-29H,18H2,1-2H3,(H,33,36)