(2S)-3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1-piperazin-1-yl-butan-1-one

Systemtic Name: (2S)-3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1-piperazin-1-yl-butan-1-one Openeye Name: (2S)-3-methyl-2-[methyl-[2-(4-pyridyl)ethyl]amino]-1-piperazin-1-yl-butan-1-one CAS Name: (2S)-3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1-piperazinyl)-1-butanone IUPAC Name: (2S)-3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1-piperazin-1-ylbutan-1-one Traditional Name: (2S)-3-methyl-2-[methyl-[2-(4-pyridyl)ethyl]amino]-1-piperazino-butan-1-one Formula: C17H28N4O MolecularWeight: 304.43042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCNCC1)N(C)CCC2=CC=NC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCNCC1)N(C)CCC2=CC=NC=C2

InChI

InChI=1S/C17H28N4O/c1-14(2)16(17(22)21-12-9-19-10-13-21)20(3)11-6-15-4-7-18-8-5-15/h4-5,7-8,14,16,19H,6,9-13H2,1-3H3/t16-/m0/s1