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

Systemtic Name: (4E)-2-(1,3-dihydroisoindol-2-ylcarbonyl)-4-(2-methyl-1H-pyrimidin-6-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: (4E)-2-(isoindoline-2-carbonyl)-4-(2-methyl-1H-pyrimidin-6-ylidene)cyclohexa-2,5-dien-1-one CAS Name: (4E)-2-[1,3-dihydroisoindol-2-yl(oxo)methyl]-4-(2-methyl-1H-pyrimidin-6-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-2-(1,3-dihydroisoindole-2-carbonyl)-4-(2-methyl-1H-pyrimidin-6-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: (4E)-2-(isoindoline-2-carbonyl)-4-(2-methyl-1H-pyrimidin-6-ylidene)cyclohexa-2,5-dien-1-one Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C2C=CC(=O)C(=C2)C(=O)N3CC4=CC=CC=C4C3)N1

Isomeric SMILES

CC1=NC=C/C(=C\2/C=CC(=O)C(=C2)C(=O)N3CC4=CC=CC=C4C3)/N1

InChI

InChI=1S/C20H17N3O2/c1-13-21-9-8-18(22-13)14-6-7-19(24)17(10-14)20(25)23-11-15-4-2-3-5-16(15)12-23/h2-10H,11-12H2,1H3,(H,21,22)/b18-14+