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

Systemtic Name: 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-1-(3-tert-butyl-4-methoxy-5-piperazin-1-yl-phenyl)ethanone dihydrochloride Openeye Name: 1-(3-tert-butyl-4-methoxy-5-piperazin-1-yl-phenyl)-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone dihydrochloride CAS Name: 1-[3-tert-butyl-4-methoxy-5-(1-piperazinyl)phenyl]-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone dihydrochloride IUPAC Name: 1-(3-tert-butyl-4-methoxy-5-piperazin-1-ylphenyl)-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone dihydrochloride Traditional Name: 1-(3-tert-butyl-4-methoxy-5-piperazino-phenyl)-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone dihydrochloride Formula: C29H41Cl2FN4O4 MolecularWeight: 599.564643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)N4CCNCC4)OC)C(C)(C)C)F)OCC.Cl.Cl

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)N4CCNCC4)OC)C(C)(C)C)F)OCC.Cl.Cl

InChI

InChI=1S/C29H39FN4O4.2ClH/c1-7-37-23-15-19-16-34(28(31)24(19)25(30)27(23)38-8-2)17-22(35)18-13-20(29(3,4)5)26(36-6)21(14-18)33-11-9-32-10-12-33;;/h13-15,31-32H,7-12,16-17H2,1-6H3;2*1H