4-bromanyl-2-[5-(1,2,4-triazol-1-yl)pentyl]isoindole-1,3-dione

Systemtic Name: 4-bromanyl-2-[5-(1,2,4-triazol-1-yl)pentyl]isoindole-1,3-dione Openeye Name: 4-bromo-2-[5-(1,2,4-triazol-1-yl)pentyl]isoindoline-1,3-dione CAS Name: 4-bromo-2-[5-(1,2,4-triazol-1-yl)pentyl]isoindole-1,3-dione IUPAC Name: 4-bromo-2-[5-(1,2,4-triazol-1-yl)pentyl]isoindole-1,3-dione Traditional Name: 4-bromo-2-[5-(1,2,4-triazol-1-yl)pentyl]isoindoline-1,3-quinone Formula: C15H15BrN4O2 MolecularWeight: 363.2092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Br)C(=O)N(C2=O)CCCCCN3C=NC=N3

Isomeric SMILES

C1=CC2=C(C(=C1)Br)C(=O)N(C2=O)CCCCCN3C=NC=N3

InChI

InChI=1S/C15H15BrN4O2/c16-12-6-4-5-11-13(12)15(22)20(14(11)21)8-3-1-2-7-19-10-17-9-18-19/h4-6,9-10H,1-3,7-8H2