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

Systemtic Name: 1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[3-(2-hydroxyethylamino)-4-methoxy-phenyl]-3,3-dimethyl-butan-1-one Openeye Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(2-hydroxyethylamino)-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-(2-hydroxyethylamino)-4-methoxyphenyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[3-(2-hydroxyethylamino)-4-methoxyphenyl]-3,3-dimethylbutan-1-one Traditional Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(2-hydroxyethylamino)-4-methoxy-phenyl]-3,3-dimethyl-butan-1-one Formula: C27H36FN3O5 MolecularWeight: 501.590243

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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)NCCO)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)NCCO)C(C)(C)C)F)OCC

InChI

InChI=1S/C27H36FN3O5/c1-7-35-20-14-17-15-31(25(29)21(17)23(28)24(20)36-8-2)26(33)22(27(3,4)5)16-9-10-19(34-6)18(13-16)30-11-12-32/h9-10,13-14,22,29-30,32H,7-8,11-12,15H2,1-6H3