4-(cyclopropylmethyl)-1-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]piperazin-2-one

Systemtic Name: 4-(cyclopropylmethyl)-1-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]piperazin-2-one Openeye Name: 4-(cyclopropylmethyl)-1-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]piperazin-2-one CAS Name: 4-(cyclopropylmethyl)-1-[2,2-dimethyl-6-(trifluoromethylthio)-1-benzopyran-4-yl]-2-piperazinone IUPAC Name: 4-(cyclopropylmethyl)-1-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]piperazin-2-one Traditional Name: 4-(cyclopropylmethyl)-1-[2,2-dimethyl-6-(trifluoromethylthio)chromen-4-yl]piperazin-2-one Formula: C20H23F3N2O2S MolecularWeight: 412.46903

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(O1)C=CC(=C2)SC(F)(F)F)N3CCN(CC3=O)CC4CC4)C

Isomeric SMILES

CC1(C=C(C2=C(O1)C=CC(=C2)SC(F)(F)F)N3CCN(CC3=O)CC4CC4)C

InChI

InChI=1S/C20H23F3N2O2S/c1-19(2)10-16(25-8-7-24(12-18(25)26)11-13-3-4-13)15-9-14(28-20(21,22)23)5-6-17(15)27-19/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3