4-[1-(4-ethylpiperazin-1-yl)-8-fluoranyl-2H-isoquinolin-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[1-(4-ethylpiperazin-1-yl)-8-fluoranyl-2H-isoquinolin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[1-(4-ethylpiperazin-1-yl)-8-fluoro-2H-isoquinolin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[1-(4-ethyl-1-piperazinyl)-8-fluoro-2H-isoquinolin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[1-(4-ethylpiperazin-1-yl)-8-fluoro-2H-isoquinolin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[1-(4-ethylpiperazino)-8-fluoro-2H-isoquinolin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C21H22FN3O MolecularWeight: 351.417283

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C3C(=CC(=C4C=CC(=O)C=C4)N2)C=CC=C3F

Isomeric SMILES

CCN1CCN(CC1)C2=C3C(=CC(=C4C=CC(=O)C=C4)N2)C=CC=C3F

InChI

InChI=1S/C21H22FN3O/c1-2-24-10-12-25(13-11-24)21-20-16(4-3-5-18(20)22)14-19(23-21)15-6-8-17(26)9-7-15/h3-9,14,23H,2,10-13H2,1H3