1-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-2-[4-methoxy-3-(3-oxidanylpyrrolidin-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-oxidanylpyrrolidin-1-yl)phenyl]hexan-1-one Openeye Name: 1-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-[3-(3-hydroxypyrrolidin-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-1-pyrrolidinyl)-4-methoxyphenyl]-1-hexanone IUPAC Name: 1-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-2-[3-(3-hydroxypyrrolidin-1-yl)-4-methoxyphenyl]hexan-1-one Traditional Name: 1-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-[3-(3-hydroxypyrrolidino)-4-methoxy-phenyl]hexan-1-one Formula: C27H34FN3O5 MolecularWeight: 499.574363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)OC)N2CCC(C2)O)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OC)OC

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)OC)N2CCC(C2)O)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OC)OC

InChI

InChI=1S/C27H34FN3O5/c1-5-6-7-19(16-8-9-21(34-2)20(12-16)30-11-10-18(32)15-30)27(33)31-14-17-13-22(35-3)25(36-4)24(28)23(17)26(31)29/h8-9,12-13,18-19,29,32H,5-7,10-11,14-15H2,1-4H3