N2,N6-bis(pyren-1-ylmethyl)pyridine-2,6-dicarboxamide

Systemtic Name: N2,N6-bis(pyren-1-ylmethyl)pyridine-2,6-dicarboxamide Openeye Name: N2,N6-bis(pyren-1-ylmethyl)pyridine-2,6-dicarboxamide CAS Name: N2,N6-bis(1-pyrenylmethyl)pyridine-2,6-dicarboxamide IUPAC Name: 2-N,6-N-bis(pyren-1-ylmethyl)pyridine-2,6-dicarboxamide Traditional Name: N,N'-bis(pyren-1-ylmethyl)dipicolinamide Formula: C41H27N3O2 MolecularWeight: 593.67198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNC(=O)C5=NC(=CC=C5)C(=O)NCC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNC(=O)C5=NC(=CC=C5)C(=O)NCC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

InChI

InChI=1S/C41H27N3O2/c45-40(42-22-30-16-14-28-12-10-24-4-1-6-26-18-20-32(30)38(28)36(24)26)34-8-3-9-35(44-34)41(46)43-23-31-17-15-29-13-11-25-5-2-7-27-19-21-33(31)39(29)37(25)27/h1-21H,22-23H2,(H,42,45)(H,43,46)