(2S)-2-(4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: (2S)-2-(4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one Openeye Name: (2S)-2-(4-methylphenoxy)-1-[4-(2-pyridyl)piperazin-1-yl]butan-1-one CAS Name: (2S)-2-(4-methylphenoxy)-1-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone IUPAC Name: (2S)-2-(4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one Traditional Name: (2S)-2-(4-methylphenoxy)-1-[4-(2-pyridyl)piperazino]butan-1-one Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C2=CC=CC=N2)OC3=CC=C(C=C3)C

Isomeric SMILES

CC[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=N2)OC3=CC=C(C=C3)C

InChI

InChI=1S/C20H25N3O2/c1-3-18(25-17-9-7-16(2)8-10-17)20(24)23-14-12-22(13-15-23)19-6-4-5-11-21-19/h4-11,18H,3,12-15H2,1-2H3/t18-/m0/s1