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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CN(C2=N)C(=O)C(C3=CC(=C(C=C3)OC)N4CCC(CC4)O)C(C)(C)C)F)OCC

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)C(=O)C(C3=CC(=C(C=C3)OC)N4CCC(CC4)O)C(C)(C)C)F)OCC

InChI

InChI=1S/C30H40FN3O5/c1-7-38-23-16-19-17-34(28(32)24(19)26(31)27(23)39-8-2)29(36)25(30(3,4)5)18-9-10-22(37-6)21(15-18)33-13-11-20(35)12-14-33/h9-10,15-16,20,25,32,35H,7-8,11-14,17H2,1-6H3