(2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-ethylpiperazin-1-yl)butan-1-one

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-ethylpiperazin-1-yl)butan-1-one Openeye Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-ethylpiperazin-1-yl)butan-1-one CAS Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-ethyl-1-piperazinyl)-1-butanone IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-ethylpiperazin-1-yl)butan-1-one Traditional Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-ethylpiperazino)butan-1-one Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[C@@H](C(=O)N1CCN(CC1)CC)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H24N2O4/c1-3-14(17(20)19-9-7-18(4-2)8-10-19)23-13-5-6-15-16(11-13)22-12-21-15/h5-6,11,14H,3-4,7-10,12H2,1-2H3/t14-/m0/s1