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

Systemtic Name: N,N'-bis[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]nonanediamide Openeye Name: N,N'-bis[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]nonanediamide CAS Name: N,N'-bis[3-[(3-chloro-4-fluoroanilino)-oxomethyl]phenyl]nonanediamide IUPAC Name: N,N'-bis[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]nonanediamide Traditional Name: N,N'-bis[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]azelaamide Formula: C35H32Cl2F2N4O4 MolecularWeight: 681.555786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCCCCCC(=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)CCCCCCCC(=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/C35H32Cl2F2N4O4/c36-28-20-26(14-16-30(28)38)42-34(46)22-8-6-10-24(18-22)40-32(44)12-4-2-1-3-5-13-33(45)41-25-11-7-9-23(19-25)35(47)43-27-15-17-31(39)29(37)21-27/h6-11,14-21H,1-5,12-13H2,(H,40,44)(H,41,45)(H,42,46)(H,43,47)