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

Systemtic Name: 1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-methoxy-3-(4-oxidanylpiperidin-1-yl)phenyl]hexan-1-one Openeye Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(4-hydroxy-1-piperidyl)-4-methoxy-phenyl]hexan-1-one CAS Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[3-(4-hydroxy-1-piperidinyl)-4-methoxyphenyl]-1-hexanone IUPAC Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[3-(4-hydroxypiperidin-1-yl)-4-methoxyphenyl]hexan-1-one Traditional Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(4-hydroxypiperidino)-4-methoxy-phenyl]hexan-1-one Formula: C30H40FN3O5 MolecularWeight: 541.654103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)OC)N2CCC(CC2)O)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)OC)N2CCC(CC2)O)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC

InChI

InChI=1S/C30H40FN3O5/c1-5-8-9-22(19-10-11-24(37-4)23(16-19)33-14-12-21(35)13-15-33)30(36)34-18-20-17-25(38-6-2)28(39-7-3)27(31)26(20)29(34)32/h10-11,16-17,21-22,32,35H,5-9,12-15,18H2,1-4H3