(2S)-2-(3,4-dimethylphenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-(3,4-dimethylphenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one Openeye Name: (2S)-2-(3,4-dimethylphenoxy)-1-[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]propan-1-one CAS Name: (2S)-2-(3,4-dimethylphenoxy)-1-[4-(2-pyridin-4-ylethyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-(3,4-dimethylphenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one Traditional Name: (2S)-2-(3,4-dimethylphenoxy)-1-[4-[2-(4-pyridyl)ethyl]piperazino]propan-1-one Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(=O)N2CCN(CC2)CCC3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)O[C@@H](C)C(=O)N2CCN(CC2)CCC3=CC=NC=C3)C

InChI

InChI=1S/C22H29N3O2/c1-17-4-5-21(16-18(17)2)27-19(3)22(26)25-14-12-24(13-15-25)11-8-20-6-9-23-10-7-20/h4-7,9-10,16,19H,8,11-15H2,1-3H3/t19-/m0/s1