N1,N3-bis[5,5-bis(1H-pyrrol-2-yl)hexyl]benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis[5,5-bis(1H-pyrrol-2-yl)hexyl]benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[5,5-bis(1H-pyrrol-2-yl)hexyl]benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[5,5-bis(1H-pyrrol-2-yl)hexyl]benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[5,5-bis(1H-pyrrol-2-yl)hexyl]benzene-1,3-dicarboxamide Traditional Name: N,N'-bis[5,5-bis(1H-pyrrol-2-yl)hexyl]isophthalamide Formula: C36H44N6O2 MolecularWeight: 592.77356

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCNC(=O)C1=CC(=CC=C1)C(=O)NCCCCC(C)(C2=CC=CN2)C3=CC=CN3)(C4=CC=CN4)C5=CC=CN5

Isomeric SMILES

CC(CCCCNC(=O)C1=CC(=CC=C1)C(=O)NCCCCC(C)(C2=CC=CN2)C3=CC=CN3)(C4=CC=CN4)C5=CC=CN5

InChI

InChI=1S/C36H44N6O2/c1-35(29-14-8-22-37-29,30-15-9-23-38-30)18-3-5-20-41-33(43)27-12-7-13-28(26-27)34(44)42-21-6-4-19-36(2,31-16-10-24-39-31)32-17-11-25-40-32/h7-17,22-26,37-40H,3-6,18-21H2,1-2H3,(H,41,43)(H,42,44)