2-[2-[4-[4-chloranyl-2-(phenylcarbonyl)phenyl]-1,2,4-triazol-3-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-[4-chloranyl-2-(phenylcarbonyl)phenyl]-1,2,4-triazol-3-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(2-benzoyl-4-chloro-phenyl)-1,2,4-triazol-3-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(2-benzoyl-4-chlorophenyl)-1,2,4-triazol-3-yl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(2-benzoyl-4-chlorophenyl)-1,2,4-triazol-3-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(2-benzoyl-4-chloro-phenyl)-1,2,4-triazol-3-yl]ethyl]isoindoline-1,3-quinone Formula: C25H17ClN4O3 MolecularWeight: 456.88048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)N3C=NN=C3CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)N3C=NN=C3CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H17ClN4O3/c26-17-10-11-21(20(14-17)23(31)16-6-2-1-3-7-16)30-15-27-28-22(30)12-13-29-24(32)18-8-4-5-9-19(18)25(29)33/h1-11,14-15H,12-13H2