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1-(azepan-1-yl)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanone

1-(azepan-1-yl)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanone

Systemtic Name:1-(azepan-1-yl)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanone
Openeye Name:1-(azepan-1-yl)-2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]ethanone
CAS Name:1-(1-azepanyl)-2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]ethanone
IUPAC Name:1-(azepan-1-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethanone
Traditional Name:1-(azepan-1-yl)-2-[(7-methoxy-4-phenyl-2-quinolyl)thio]ethanone
Formula: C24H26N2O2S
MolecularWeight: 406.54044
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)N3CCCCCC3)C4=CC=CC=C4


Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)N3CCCCCC3)C4=CC=CC=C4


InChI

InChI=1S/C24H26N2O2S/c1-28-19-11-12-20-21(18-9-5-4-6-10-18)16-23(25-22(20)15-19)29-17-24(27)26-13-7-2-3-8-14-26/h4-6,9-12,15-16H,2-3,7-8,13-14,17H2,1H3


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