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

Systemtic Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-ethylpiperazin-1-yl)butan-1-one Openeye Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-ethylpiperazin-1-yl)butan-1-one CAS Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-ethyl-1-piperazinyl)-1-butanone IUPAC Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-ethylpiperazin-1-yl)butan-1-one Traditional Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-ethylpiperazino)butan-1-one Formula: C18H28N2O2 MolecularWeight: 304.42712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2/c1-5-17(22-16-8-7-14(3)15(4)13-16)18(21)20-11-9-19(6-2)10-12-20/h7-8,13,17H,5-6,9-12H2,1-4H3/t17-/m0/s1