4-[1-(4-ethylpiperazin-1-yl)-2H-isoquinolin-3-ylidene]-2,6-bis(fluoranyl)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[1-(4-ethylpiperazin-1-yl)-2H-isoquinolin-3-ylidene]-2,6-bis(fluoranyl)cyclohexa-2,5-dien-1-one Openeye Name: 4-[1-(4-ethylpiperazin-1-yl)-2H-isoquinolin-3-ylidene]-2,6-difluoro-cyclohexa-2,5-dien-1-one CAS Name: 4-[1-(4-ethyl-1-piperazinyl)-2H-isoquinolin-3-ylidene]-2,6-difluoro-1-cyclohexa-2,5-dienone IUPAC Name: 4-[1-(4-ethylpiperazin-1-yl)-2H-isoquinolin-3-ylidene]-2,6-difluorocyclohexa-2,5-dien-1-one Traditional Name: 4-[1-(4-ethylpiperazino)-2H-isoquinolin-3-ylidene]-2,6-difluoro-cyclohexa-2,5-dien-1-one Formula: C21H21F2N3O MolecularWeight: 369.407746

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C3C=CC=CC3=CC(=C4C=C(C(=O)C(=C4)F)F)N2

Isomeric SMILES

CCN1CCN(CC1)C2=C3C=CC=CC3=CC(=C4C=C(C(=O)C(=C4)F)F)N2

InChI

InChI=1S/C21H21F2N3O/c1-2-25-7-9-26(10-8-25)21-16-6-4-3-5-14(16)13-19(24-21)15-11-17(22)20(27)18(23)12-15/h3-6,11-13,24H,2,7-10H2,1H3