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

Systemtic Name: (6E)-6-[5-[3-(6-octoxypyridin-3-yl)pyrazin-2-yl]-1H-pyrazin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[5-[3-(6-octoxy-3-pyridyl)pyrazin-2-yl]-1H-pyrazin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[5-[3-(6-octoxy-3-pyridinyl)-2-pyrazinyl]-1H-pyrazin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[5-[3-(6-octoxypyridin-3-yl)pyrazin-2-yl]-1H-pyrazin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[5-[3-(6-octoxy-3-pyridyl)pyrazin-2-yl]-1H-pyrazin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC=C(C=C1)C2=NC=CN=C2C3=CNC(=C4C=CC=CC4=O)C=N3

Isomeric SMILES

CCCCCCCCOC1=NC=C(C=C1)C2=NC=CN=C2C3=CN/C(=C/4\C=CC=CC4=O)/C=N3

InChI

InChI=1S/C27H29N5O2/c1-2-3-4-5-6-9-16-34-25-13-12-20(17-32-25)26-27(29-15-14-28-26)23-19-30-22(18-31-23)21-10-7-8-11-24(21)33/h7-8,10-15,17-19,30H,2-6,9,16H2,1H3/b22-21+