N,N'-bis[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]decanediamide

Systemtic Name: N,N'-bis[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]decanediamide Openeye Name: N,N'-bis[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]decanediamide CAS Name: N,N'-bis[3-[(3-chloro-4-fluoroanilino)-oxomethyl]phenyl]decanediamide IUPAC Name: N,N'-bis[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]decanediamide Traditional Name: N,N'-bis[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]sebacamide Formula: C36H34Cl2F2N4O4 MolecularWeight: 695.582366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCCCCCCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCCCCCCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C36H34Cl2F2N4O4/c37-29-21-27(15-17-31(29)39)43-35(47)23-9-7-11-25(19-23)41-33(45)13-5-3-1-2-4-6-14-34(46)42-26-12-8-10-24(20-26)36(48)44-28-16-18-32(40)30(38)22-28/h7-12,15-22H,1-6,13-14H2,(H,41,45)(H,42,46)(H,43,47)(H,44,48)