1-[4-[3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-7-methylsulfanyl-quinolin-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-7-methylsulfanyl-quinolin-2-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[3-[[(2,2-dimethyltetrahydropyran-4-yl)amino]methyl]-7-methylsulfanyl-2-quinolyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[3-[[(2,2-dimethyl-4-oxanyl)amino]methyl]-7-(methylthio)-2-quinolinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-7-methylsulfanylquinolin-2-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-[[(2,2-dimethyltetrahydropyran-4-yl)amino]methyl]-7-(methylthio)-2-quinolyl]piperazino]ethanone Formula: C24H34N4O2S MolecularWeight: 442.61736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=N2)SC)CNC4CCOC(C4)(C)C

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=N2)SC)CNC4CCOC(C4)(C)C

InChI

InChI=1S/C24H34N4O2S/c1-17(29)27-8-10-28(11-9-27)23-19(16-25-20-7-12-30-24(2,3)15-20)13-18-5-6-21(31-4)14-22(18)26-23/h5-6,13-14,20,25H,7-12,15-16H2,1-4H3