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

Systemtic Name: 4-(3-pyren-4-ylpropyl)-1,2,4-triazole-3,5-dione Openeye Name: 4-(3-pyren-4-ylpropyl)-1,2,4-triazole-3,5-dione CAS Name: 4-[3-(4-pyrenyl)propyl]-1,2,4-triazole-3,5-dione IUPAC Name: 4-(3-pyren-4-ylpropyl)-1,2,4-triazole-3,5-dione Traditional Name: 4-(3-pyren-4-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=C(C4=CC=CC(=C43)C=C2)CCCN5C(=O)N=NC5=O

Isomeric SMILES

C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)CCCN5C(=O)N=NC5=O

InChI

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