(2S)-3-methyl-2-(4-methylphenoxy)-1-piperazin-1-yl-butan-1-one

Systemtic Name: (2S)-3-methyl-2-(4-methylphenoxy)-1-piperazin-1-yl-butan-1-one Openeye Name: (2S)-3-methyl-2-(4-methylphenoxy)-1-piperazin-1-yl-butan-1-one CAS Name: (2S)-3-methyl-2-(4-methylphenoxy)-1-(1-piperazinyl)-1-butanone IUPAC Name: (2S)-3-methyl-2-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one Traditional Name: (2S)-3-methyl-2-(4-methylphenoxy)-1-piperazino-butan-1-one Formula: C16H24N2O2 MolecularWeight: 276.37396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C(C)C)C(=O)N2CCNCC2

Isomeric SMILES

CC1=CC=C(C=C1)O[C@@H](C(C)C)C(=O)N2CCNCC2

InChI

InChI=1S/C16H24N2O2/c1-12(2)15(16(19)18-10-8-17-9-11-18)20-14-6-4-13(3)5-7-14/h4-7,12,15,17H,8-11H2,1-3H3/t15-/m0/s1