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

Systemtic Name: 2-(6-fluoranylquinolin-4-yl)sulfanyl-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-[(6-fluoro-4-quinolyl)sulfanyl]-1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(6-fluoro-4-quinolinyl)thio]-1-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(6-fluoroquinolin-4-yl)sulfanyl-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(6-fluoro-4-quinolyl)thio]-1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C22H23FN4OS MolecularWeight: 410.507623

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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=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=C3C=C(C=CC3=NC=C2)F)CC4=CC=CC=N4

InChI

InChI=1S/C22H23FN4OS/c23-17-5-6-20-19(14-17)21(7-9-25-20)29-16-22(28)27-11-3-10-26(12-13-27)15-18-4-1-2-8-24-18/h1-2,4-9,14H,3,10-13,15-16H2