(phenylmethyl) 2-[4-[2-(6-fluoranylquinolin-4-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[2-(6-fluoranylquinolin-4-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[2-[(6-fluoro-4-quinolyl)sulfanyl]acetyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[2-[(6-fluoro-4-quinolinyl)thio]-1-oxoethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[2-(6-fluoroquinolin-4-yl)sulfanylacetyl]-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[2-[(6-fluoro-4-quinolyl)thio]acetyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C25H26FN3O3S MolecularWeight: 467.555643

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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)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=C3C=C(C=CC3=NC=C2)F)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26FN3O3S/c26-20-7-8-22-21(15-20)23(9-10-27-22)33-18-24(30)29-12-4-11-28(13-14-29)16-25(31)32-17-19-5-2-1-3-6-19/h1-3,5-10,15H,4,11-14,16-18H2