7-fluoranyl-1-(2-phenylsulfanylethyl)-3-[(pyridin-3-ylmethylamino)methyl]quinolin-2-one

Systemtic Name: 7-fluoranyl-1-(2-phenylsulfanylethyl)-3-[(pyridin-3-ylmethylamino)methyl]quinolin-2-one Openeye Name: 7-fluoro-1-(2-phenylsulfanylethyl)-3-[(3-pyridylmethylamino)methyl]quinolin-2-one CAS Name: 7-fluoro-1-[2-(phenylthio)ethyl]-3-[(3-pyridinylmethylamino)methyl]-2-quinolinone IUPAC Name: 7-fluoro-1-(2-phenylsulfanylethyl)-3-[(pyridin-3-ylmethylamino)methyl]quinolin-2-one Traditional Name: 7-fluoro-1-[2-(phenylthio)ethyl]-3-[(3-pyridylmethylamino)methyl]carbostyril Formula: C24H22FN3OS MolecularWeight: 419.514383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCN2C3=C(C=CC(=C3)F)C=C(C2=O)CNCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)SCCN2C3=C(C=CC(=C3)F)C=C(C2=O)CNCC4=CN=CC=C4

InChI

InChI=1S/C24H22FN3OS/c25-21-9-8-19-13-20(17-27-16-18-5-4-10-26-15-18)24(29)28(23(19)14-21)11-12-30-22-6-2-1-3-7-22/h1-10,13-15,27H,11-12,16-17H2