(2S)-2-(3,4-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one Openeye Name: (2S)-2-(3,4-dimethylphenoxy)-1-[4-(2-pyridyl)piperazin-1-yl]butan-1-one CAS Name: (2S)-2-(3,4-dimethylphenoxy)-1-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone IUPAC Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one Traditional Name: (2S)-2-(3,4-dimethylphenoxy)-1-[4-(2-pyridyl)piperazino]butan-1-one Formula: C21H27N3O2 MolecularWeight: 353.45798

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-4-19(26-18-9-8-16(2)17(3)15-18)21(25)24-13-11-23(12-14-24)20-7-5-6-10-22-20/h5-10,15,19H,4,11-14H2,1-3H3/t19-/m0/s1