N1,N4-bis[(3-fluoranyl-4-methyl-phenyl)methyl]-1,4-diazepane-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[(3-fluoranyl-4-methyl-phenyl)methyl]-1,4-diazepane-1,4-dicarboxamide Openeye Name: N1,N4-bis[(3-fluoro-4-methyl-phenyl)methyl]-1,4-diazepane-1,4-dicarboxamide CAS Name: N1,N4-bis[(3-fluoro-4-methylphenyl)methyl]-1,4-diazepane-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[(3-fluoro-4-methylphenyl)methyl]-1,4-diazepane-1,4-dicarboxamide Traditional Name: N,N'-bis(3-fluoro-4-methyl-benzyl)-1,4-diazepane-1,4-dicarboxamide Formula: C23H28F2N4O2 MolecularWeight: 430.490826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)N2CCCN(CC2)C(=O)NCC3=CC(=C(C=C3)C)F)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)N2CCCN(CC2)C(=O)NCC3=CC(=C(C=C3)C)F)F

InChI

InChI=1S/C23H28F2N4O2/c1-16-4-6-18(12-20(16)24)14-26-22(30)28-8-3-9-29(11-10-28)23(31)27-15-19-7-5-17(2)21(25)13-19/h4-7,12-13H,3,8-11,14-15H2,1-2H3,(H,26,30)(H,27,31)