N1,N4-bis[2-(azepan-1-ylcarbonyl)phenyl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[2-(azepan-1-ylcarbonyl)phenyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[2-(azepane-1-carbonyl)phenyl]terephthalamide CAS Name: N1,N4-bis[2-[1-azepanyl(oxo)methyl]phenyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[2-(azepane-1-carbonyl)phenyl]terephthalamide Formula: C34H38N4O4 MolecularWeight: 566.68992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)N5CCCCCC5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)N5CCCCCC5

InChI

InChI=1S/C34H38N4O4/c39-31(35-29-15-7-5-13-27(29)33(41)37-21-9-1-2-10-22-37)25-17-19-26(20-18-25)32(40)36-30-16-8-6-14-28(30)34(42)38-23-11-3-4-12-24-38/h5-8,13-20H,1-4,9-12,21-24H2,(H,35,39)(H,36,40)