2-ethyl-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-ethyl-butan-1-one CAS Name: 2-ethyl-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-ethylbutan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-ethyl-butan-1-one Formula: C17H26N2O MolecularWeight: 274.40114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C17H26N2O/c1-3-16(4-2)17(20)19-12-10-18(11-13-19)14-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3