(2S)-2-(3,4-dimethylphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one

Systemtic Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one Openeye Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one CAS Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-methyl-1-piperazinyl)-1-butanone IUPAC Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one Traditional Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-methylpiperazino)butan-1-one Formula: C17H26N2O2 MolecularWeight: 290.40054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C)OC2=CC(=C(C=C2)C)C

Isomeric SMILES

CC[C@@H](C(=O)N1CCN(CC1)C)OC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C17H26N2O2/c1-5-16(17(20)19-10-8-18(4)9-11-19)21-15-7-6-13(2)14(3)12-15/h6-7,12,16H,5,8-11H2,1-4H3/t16-/m0/s1