(2S)-2-[methyl(phenyl)amino]-1-piperazin-1-yl-2-pyridin-3-yl-ethanone

Systemtic Name: (2S)-2-[methyl(phenyl)amino]-1-piperazin-1-yl-2-pyridin-3-yl-ethanone Openeye Name: (2S)-2-(N-methylanilino)-1-piperazin-1-yl-2-(3-pyridyl)ethanone CAS Name: (2S)-2-(N-methylanilino)-1-(1-piperazinyl)-2-(3-pyridinyl)ethanone IUPAC Name: (2S)-2-(N-methylanilino)-1-piperazin-1-yl-2-pyridin-3-ylethanone Traditional Name: (2S)-2-(N-methylanilino)-1-piperazino-2-(3-pyridyl)ethanone Formula: C18H22N4O MolecularWeight: 310.39348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(C2=CN=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

CN(C1=CC=CC=C1)[C@@H](C2=CN=CC=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C18H22N4O/c1-21(16-7-3-2-4-8-16)17(15-6-5-9-20-14-15)18(23)22-12-10-19-11-13-22/h2-9,14,17,19H,10-13H2,1H3/t17-/m0/s1