4-butyl-5-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]isoindole-1,3-dione

Systemtic Name: 4-butyl-5-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]isoindole-1,3-dione Openeye Name: 4-butyl-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 4-butyl-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 4-butyl-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 4-butyl-5-[4-(6-fluoroindoxazen-3-yl)piperidino]isoindoline-1,3-quinone Formula: C24H24FN3O3 MolecularWeight: 421.464063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC2=C1C(=O)NC2=O)N3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

Isomeric SMILES

CCCCC1=C(C=CC2=C1C(=O)NC2=O)N3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

InChI

InChI=1S/C24H24FN3O3/c1-2-3-4-16-19(8-7-18-21(16)24(30)26-23(18)29)28-11-9-14(10-12-28)22-17-6-5-15(25)13-20(17)31-27-22/h5-8,13-14H,2-4,9-12H2,1H3,(H,26,29,30)