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

Systemtic Name: 1-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-2-[4-methoxy-3-(4-oxidanylpiperidin-1-yl)phenyl]-3,3-dimethyl-butan-1-one Openeye Name: 1-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-[3-(4-hydroxy-1-piperidyl)-4-methoxy-phenyl]-3,3-dimethyl-butan-1-one CAS Name: 1-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-2-[3-(4-hydroxy-1-piperidinyl)-4-methoxyphenyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-2-[3-(4-hydroxypiperidin-1-yl)-4-methoxyphenyl]-3,3-dimethylbutan-1-one Traditional Name: 1-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-[3-(4-hydroxypiperidino)-4-methoxy-phenyl]-3,3-dimethyl-butan-1-one Formula: C28H36FN3O5 MolecularWeight: 513.600943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36FN3O5/c1-28(2,3)23(16-7-8-20(35-4)19(13-16)31-11-9-18(33)10-12-31)27(34)32-15-17-14-21(36-5)25(37-6)24(29)22(17)26(32)30/h7-8,13-14,18,23,30,33H,9-12,15H2,1-6H3