5-cyclopenta-2,4-dien-1-yl-N1,N3-bis(pyren-1-ylmethyl)benzene-1,3-dicarboxamide

Systemtic Name: 5-cyclopenta-2,4-dien-1-yl-N1,N3-bis(pyren-1-ylmethyl)benzene-1,3-dicarboxamide Openeye Name: 5-cyclopenta-2,4-dien-1-yl-N1,N3-bis(pyren-1-ylmethyl)benzene-1,3-dicarboxamide CAS Name: 5-(1-cyclopenta-2,4-dienyl)-N1,N3-bis(1-pyrenylmethyl)benzene-1,3-dicarboxamide IUPAC Name: 5-cyclopenta-2,4-dien-1-yl-1-N,3-N-bis(pyren-1-ylmethyl)benzene-1,3-dicarboxamide Traditional Name: 5-cyclopenta-2,4-dien-1-yl-N,N'-bis(pyren-1-ylmethyl)isophthalamide Formula: C47H32N2O2 MolecularWeight: 656.76918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C=C1)C2=CC(=CC(=C2)C(=O)NCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C(=O)NCC7=C8C=CC9=CC=CC1=C9C8=C(C=C1)C=C7

Isomeric SMILES

C1=CC(C=C1)C2=CC(=CC(=C2)C(=O)NCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C(=O)NCC7=C8C=CC9=CC=CC1=C9C8=C(C=C1)C=C7

InChI

InChI=1S/C47H32N2O2/c50-46(48-26-35-17-15-33-13-11-29-7-3-9-31-19-21-40(35)44(33)42(29)31)38-23-37(28-5-1-2-6-28)24-39(25-38)47(51)49-27-36-18-16-34-14-12-30-8-4-10-32-20-22-41(36)45(34)43(30)32/h1-25,28H,26-27H2,(H,48,50)(H,49,51)