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

Systemtic Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Openeye Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one CAS Name: (2S)-2-(3,4-dimethylphenoxy)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Traditional Name: (2S)-2-(3,4-dimethylphenoxy)-1-[4-(2-pyrimidyl)piperazino]butan-1-one Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2/c1-4-18(26-17-7-6-15(2)16(3)14-17)19(25)23-10-12-24(13-11-23)20-21-8-5-9-22-20/h5-9,14,18H,4,10-13H2,1-3H3/t18-/m0/s1