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

Systemtic Name: 1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[3-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxy-phenyl]hexan-1-one Openeye Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxy-phenyl]hexan-1-one CAS Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[3-(3,4-dimethoxy-1-pyrrolidinyl)-4-methoxyphenyl]-1-hexanone IUPAC Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[3-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxyphenyl]hexan-1-one Traditional Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(3,4-dimethoxypyrrolidino)-4-methoxy-phenyl]hexan-1-one Formula: C31H42FN3O6 MolecularWeight: 571.680083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42FN3O6/c1-7-10-11-21(19-12-13-23(37-4)22(14-19)34-17-25(38-5)26(18-34)39-6)31(36)35-16-20-15-24(40-8-2)29(41-9-3)28(32)27(20)30(35)33/h12-15,21,25-26,33H,7-11,16-18H2,1-6H3