2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-3-methoxy-phenyl]ethanone

Systemtic Name: 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-3-methoxy-phenyl]-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone CAS Name: 1-[4-tert-butyl-2-(4-ethyl-1-piperazinyl)-3-methoxyphenyl]-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone IUPAC Name: 1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-3-methoxyphenyl]-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone Traditional Name: 1-[4-tert-butyl-2-(4-ethylpiperazino)-3-methoxy-phenyl]-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone Formula: C31H43FN4O4 MolecularWeight: 554.695923

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=CC(=C2OC)C(C)(C)C)C(=O)CN3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=CC(=C2OC)C(C)(C)C)C(=O)CN3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC

InChI

InChI=1S/C31H43FN4O4/c1-8-34-13-15-35(16-14-34)27-21(11-12-22(28(27)38-7)31(4,5)6)23(37)19-36-18-20-17-24(39-9-2)29(40-10-3)26(32)25(20)30(36)33/h11-12,17,33H,8-10,13-16,18-19H2,1-7H3