1-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-2-[4-methoxy-3-(3-methoxy-4-oxidanyl-pyrrolidin-1-yl)phenyl]hexan-1-one

Systemtic Name: 1-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-2-[4-methoxy-3-(3-methoxy-4-oxidanyl-pyrrolidin-1-yl)phenyl]hexan-1-one Openeye Name: 1-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-[3-(3-hydroxy-4-methoxy-pyrrolidin-1-yl)-4-methoxy-phenyl]hexan-1-one CAS Name: 1-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-2-[3-(3-hydroxy-4-methoxy-1-pyrrolidinyl)-4-methoxyphenyl]-1-hexanone IUPAC Name: 1-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-2-[3-(3-hydroxy-4-methoxypyrrolidin-1-yl)-4-methoxyphenyl]hexan-1-one Traditional Name: 1-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-[3-(3-hydroxy-4-methoxy-pyrrolidino)-4-methoxy-phenyl]hexan-1-one Formula: C28H36FN3O6 MolecularWeight: 529.600343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)OC)N2CC(C(C2)OC)O)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OC)OC

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)OC)N2CC(C(C2)OC)O)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OC)OC

InChI

InChI=1S/C28H36FN3O6/c1-6-7-8-18(16-9-10-21(35-2)19(11-16)31-14-20(33)23(15-31)37-4)28(34)32-13-17-12-22(36-3)26(38-5)25(29)24(17)27(32)30/h9-12,18,20,23,30,33H,6-8,13-15H2,1-5H3