2-(5-phenethyl-1H-1,2,4-triazol-3-yl)isoindole-1,3-dione

Systemtic Name: 2-(5-phenethyl-1H-1,2,4-triazol-3-yl)isoindole-1,3-dione Openeye Name: 2-(5-phenethyl-1H-1,2,4-triazol-3-yl)isoindoline-1,3-dione CAS Name: 2-(5-phenethyl-1H-1,2,4-triazol-3-yl)isoindole-1,3-dione IUPAC Name: 2-(5-phenethyl-1H-1,2,4-triazol-3-yl)isoindole-1,3-dione Traditional Name: 2-(5-phenethyl-1H-1,2,4-triazol-3-yl)isoindoline-1,3-quinone Formula: C18H14N4O2 MolecularWeight: 318.32936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC(=NN2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC(=NN2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H14N4O2/c23-16-13-8-4-5-9-14(13)17(24)22(16)18-19-15(20-21-18)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20,21)