4-(3-pyren-1-ylpropyl)-1,2,4-triazole-3,5-dione

Systemtic Name: 4-(3-pyren-1-ylpropyl)-1,2,4-triazole-3,5-dione Openeye Name: 4-(3-pyren-1-ylpropyl)-1,2,4-triazole-3,5-dione CAS Name: 4-[3-(1-pyrenyl)propyl]-1,2,4-triazole-3,5-dione IUPAC Name: 4-(3-pyren-1-ylpropyl)-1,2,4-triazole-3,5-dione Traditional Name: 4-(3-pyren-1-ylpropyl)-1,2,4-triazole-3,5-quinone Formula: C21H15N3O2 MolecularWeight: 341.3627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCN5C(=O)N=NC5=O

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCN5C(=O)N=NC5=O

InChI

InChI=1S/C21H15N3O2/c25-20-22-23-21(26)24(20)12-2-5-13-6-7-16-9-8-14-3-1-4-15-10-11-17(13)19(16)18(14)15/h1,3-4,6-11H,2,5,12H2