5-azanyl-N1,N3-bis[3-(2-phenylethynyl)phenyl]benzene-1,3-dicarboxamide

Systemtic Name: 5-azanyl-N1,N3-bis[3-(2-phenylethynyl)phenyl]benzene-1,3-dicarboxamide Openeye Name: 5-amino-N1,N3-bis[3-(2-phenylethynyl)phenyl]benzene-1,3-dicarboxamide CAS Name: 5-amino-N1,N3-bis[3-(2-phenylethynyl)phenyl]benzene-1,3-dicarboxamide IUPAC Name: 5-amino-1-N,3-N-bis[3-(2-phenylethynyl)phenyl]benzene-1,3-dicarboxamide Traditional Name: 5-amino-N,N'-bis[3-(2-phenylethynyl)phenyl]isophthalamide Formula: C36H25N3O2 MolecularWeight: 531.6026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC(=CC(=C3)N)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC(=CC(=C3)N)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C36H25N3O2/c37-32-24-30(35(40)38-33-15-7-13-28(21-33)19-17-26-9-3-1-4-10-26)23-31(25-32)36(41)39-34-16-8-14-29(22-34)20-18-27-11-5-2-6-12-27/h1-16,21-25H,37H2,(H,38,40)(H,39,41)