N1,N3-bis[6,6-bis(1H-pyrrol-2-yl)heptyl]benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis[6,6-bis(1H-pyrrol-2-yl)heptyl]benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[6,6-bis(1H-pyrrol-2-yl)heptyl]benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[6,6-bis(1H-pyrrol-2-yl)heptyl]benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[6,6-bis(1H-pyrrol-2-yl)heptyl]benzene-1,3-dicarboxamide Traditional Name: N,N'-bis[6,6-bis(1H-pyrrol-2-yl)heptyl]isophthalamide Formula: C38H48N6O2 MolecularWeight: 620.82672

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCNC(=O)C1=CC(=CC=C1)C(=O)NCCCCCC(C)(C2=CC=CN2)C3=CC=CN3)(C4=CC=CN4)C5=CC=CN5

Isomeric SMILES

CC(CCCCCNC(=O)C1=CC(=CC=C1)C(=O)NCCCCCC(C)(C2=CC=CN2)C3=CC=CN3)(C4=CC=CN4)C5=CC=CN5

InChI

InChI=1S/C38H48N6O2/c1-37(31-16-10-24-39-31,32-17-11-25-40-32)20-5-3-7-22-43-35(45)29-14-9-15-30(28-29)36(46)44-23-8-4-6-21-38(2,33-18-12-26-41-33)34-19-13-27-42-34/h9-19,24-28,39-42H,3-8,20-23H2,1-2H3,(H,43,45)(H,44,46)