4,5-dimethoxy-2-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]isoindole-1,3-dione

Systemtic Name: 4,5-dimethoxy-2-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]isoindole-1,3-dione Openeye Name: 4,5-dimethoxy-2-[1-(m-tolylmethyl)-1,2,4-triazol-3-yl]isoindoline-1,3-dione CAS Name: 4,5-dimethoxy-2-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]isoindole-1,3-dione IUPAC Name: 4,5-dimethoxy-2-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]isoindole-1,3-dione Traditional Name: 4,5-dimethoxy-2-[1-(3-methylbenzyl)-1,2,4-triazol-3-yl]isoindoline-1,3-quinone Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC(=N2)N3C(=O)C4=C(C3=O)C(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC(=N2)N3C(=O)C4=C(C3=O)C(=C(C=C4)OC)OC

InChI

InChI=1S/C20H18N4O4/c1-12-5-4-6-13(9-12)10-23-11-21-20(22-23)24-18(25)14-7-8-15(27-2)17(28-3)16(14)19(24)26/h4-9,11H,10H2,1-3H3