N2-[bis(azanyl)methylidene]-N5-[4-(pyren-1-ylcarbonylamino)butyl]-1H-pyrrole-2,5-dicarboxamide

Systemtic Name: N2-[bis(azanyl)methylidene]-N5-[4-(pyren-1-ylcarbonylamino)butyl]-1H-pyrrole-2,5-dicarboxamide Openeye Name: N2-(diaminomethylene)-N5-[4-(pyrene-1-carbonylamino)butyl]-1H-pyrrole-2,5-dicarboxamide CAS Name: N2-(diaminomethylidene)-N5-[4-[[oxo(1-pyrenyl)methyl]amino]butyl]-1H-pyrrole-2,5-dicarboxamide IUPAC Name: 2-N-(diaminomethylidene)-5-N-[4-(pyrene-1-carbonylamino)butyl]-1H-pyrrole-2,5-dicarboxamide Traditional Name: N-(diaminomethylene)-N'-[4-(pyrene-1-carbonylamino)butyl]-1H-pyrrole-2,5-dicarboxamide Formula: C28H26N6O3 MolecularWeight: 494.54444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)NCCCCNC(=O)C5=CC=C(N5)C(=O)N=C(N)N

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)NCCCCNC(=O)C5=CC=C(N5)C(=O)N=C(N)N

InChI

InChI=1S/C28H26N6O3/c29-28(30)34-27(37)22-13-12-21(33-22)26(36)32-15-2-1-14-31-25(35)20-11-9-18-7-6-16-4-3-5-17-8-10-19(20)24(18)23(16)17/h3-13,33H,1-2,14-15H2,(H,31,35)(H,32,36)(H4,29,30,34,37)