(6E)-6-[5-(6-octoxypyridin-3-yl)-1H-pyrazin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[5-(6-octoxypyridin-3-yl)-1H-pyrazin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[5-(6-octoxy-3-pyridyl)-1H-pyrazin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[5-(6-octoxy-3-pyridinyl)-1H-pyrazin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[5-(6-octoxypyridin-3-yl)-1H-pyrazin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[5-(6-octoxy-3-pyridyl)-1H-pyrazin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC=C(C=C1)C2=CNC(=C3C=CC=CC3=O)C=N2

Isomeric SMILES

CCCCCCCCOC1=NC=C(C=C1)C2=CN/C(=C/3\C=CC=CC3=O)/C=N2

InChI

InChI=1S/C23H27N3O2/c1-2-3-4-5-6-9-14-28-23-13-12-18(15-26-23)20-16-25-21(17-24-20)19-10-7-8-11-22(19)27/h7-8,10-13,15-17,25H,2-6,9,14H2,1H3/b21-19+