1-[4-(5-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(5-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]-2-[(4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-[4-(5-fluoroindoxazen-3-yl)piperidino]-2-[(4-methyl-2-quinolyl)thio]ethanone Formula: C24H22FN3O2S MolecularWeight: 435.513783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCC(CC3)C4=NOC5=C4C=C(C=C5)F

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCC(CC3)C4=NOC5=C4C=C(C=C5)F

InChI

InChI=1S/C24H22FN3O2S/c1-15-12-22(26-20-5-3-2-4-18(15)20)31-14-23(29)28-10-8-16(9-11-28)24-19-13-17(25)6-7-21(19)30-27-24/h2-7,12-13,16H,8-11,14H2,1H3