(6E)-6-(5-isoquinolin-1-yl-1,2-dihydro-1,2,4-triazol-3-ylidene)-4-methyl-5-oxidanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(5-isoquinolin-1-yl-1,2-dihydro-1,2,4-triazol-3-ylidene)-4-methyl-5-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-5-hydroxy-6-[5-(1-isoquinolyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-5-hydroxy-6-[5-(1-isoquinolinyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]-4-methyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-5-hydroxy-6-(5-isoquinolin-1-yl-1,2-dihydro-1,2,4-triazol-3-ylidene)-4-methylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-5-hydroxy-6-[5-(1-isoquinolyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one Formula: C18H14N4O2 MolecularWeight: 318.32936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2NNC(=N2)C3=NC=CC4=CC=CC=C43)C(=O)C=C1)O

Isomeric SMILES

CC1=C(/C(=C/2\NNC(=N2)C3=NC=CC4=CC=CC=C43)/C(=O)C=C1)O

InChI

InChI=1S/C18H14N4O2/c1-10-6-7-13(23)14(16(10)24)17-20-18(22-21-17)15-12-5-3-2-4-11(12)8-9-19-15/h2-9,21,24H,1H3,(H,20,22)/b17-14-