2-[4-[2-(6-fluoranylquinolin-4-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[2-(6-fluoranylquinolin-4-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[2-[(6-fluoro-4-quinolyl)sulfanyl]acetyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[2-[(6-fluoro-4-quinolinyl)thio]-1-oxoethyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[2-(6-fluoroquinolin-4-yl)sulfanylacetyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[2-[(6-fluoro-4-quinolyl)thio]acetyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C26H29FN4O2S MolecularWeight: 480.597463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=C3C=C(C=CC3=NC=C2)F)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=C3C=C(C=CC3=NC=C2)F)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H29FN4O2S/c27-21-7-8-23-22(17-21)24(10-12-28-23)34-19-26(33)31-14-4-13-30(15-16-31)18-25(32)29-11-9-20-5-2-1-3-6-20/h1-3,5-8,10,12,17H,4,9,11,13-16,18-19H2,(H,29,32)