2-(6-fluoranylquinolin-4-yl)sulfanyl-1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(6-fluoranylquinolin-4-yl)sulfanyl-1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-[(6-fluoro-4-quinolyl)sulfanyl]-1-[4-(2-furylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(6-fluoro-4-quinolinyl)thio]-1-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(6-fluoroquinolin-4-yl)sulfanyl-1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(6-fluoro-4-quinolyl)thio]-1-[4-(2-furfuryl)-1,4-diazepan-1-yl]ethanone Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=C3C=C(C=CC3=NC=C2)F)CC4=CC=CO4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=C3C=C(C=CC3=NC=C2)F)CC4=CC=CO4

InChI

InChI=1S/C21H22FN3O2S/c22-16-4-5-19-18(13-16)20(6-7-23-19)28-15-21(26)25-9-2-8-24(10-11-25)14-17-3-1-12-27-17/h1,3-7,12-13H,2,8-11,14-15H2