2-[4-(1H-1,2,4-triazol-5-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(1H-1,2,4-triazol-5-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(1H-1,2,4-triazol-5-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(1H-1,2,4-triazol-5-yl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1H-1,2,4-triazol-5-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(1H-1,2,4-triazol-5-yl)butyl]isoindoline-1,3-quinone Formula: C14H14N4O2 MolecularWeight: 270.28656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCC3=NC=NN3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCC3=NC=NN3

InChI

InChI=1S/C14H14N4O2/c19-13-10-5-1-2-6-11(10)14(20)18(13)8-4-3-7-12-15-9-16-17-12/h1-2,5-6,9H,3-4,7-8H2,(H,15,16,17)