(4E)-2-(1,3-dihydroisoindol-2-ylcarbonyl)-4-(2-ethyl-1H-pyrimidin-6-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-2-(1,3-dihydroisoindol-2-ylcarbonyl)-4-(2-ethyl-1H-pyrimidin-6-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-(2-ethyl-1H-pyrimidin-6-ylidene)-2-(isoindoline-2-carbonyl)cyclohexa-2,5-dien-1-one CAS Name: (4E)-2-[1,3-dihydroisoindol-2-yl(oxo)methyl]-4-(2-ethyl-1H-pyrimidin-6-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-2-(1,3-dihydroisoindole-2-carbonyl)-4-(2-ethyl-1H-pyrimidin-6-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-(2-ethyl-1H-pyrimidin-6-ylidene)-2-(isoindoline-2-carbonyl)cyclohexa-2,5-dien-1-one Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CC(=C2C=CC(=O)C(=C2)C(=O)N3CC4=CC=CC=C4C3)N1

Isomeric SMILES

CCC1=NC=C/C(=C\2/C=CC(=O)C(=C2)C(=O)N3CC4=CC=CC=C4C3)/N1

InChI

InChI=1S/C21H19N3O2/c1-2-20-22-10-9-18(23-20)14-7-8-19(25)17(11-14)21(26)24-12-15-5-3-4-6-16(15)13-24/h3-11H,2,12-13H2,1H3,(H,22,23)/b18-14+