(2S)-2-(3-methylphenoxy)-1-[(2S)-4-methyl-2-phenyl-piperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-(3-methylphenoxy)-1-[(2S)-4-methyl-2-phenyl-piperazin-1-yl]propan-1-one Openeye Name: (2S)-2-(3-methylphenoxy)-1-[(2S)-4-methyl-2-phenyl-piperazin-1-yl]propan-1-one CAS Name: (2S)-2-(3-methylphenoxy)-1-[(2S)-4-methyl-2-phenyl-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-(3-methylphenoxy)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one Traditional Name: (2S)-2-(3-methylphenoxy)-1-[(2S)-4-methyl-2-phenyl-piperazino]propan-1-one Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)N2CCN(CC2C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)O[C@@H](C)C(=O)N2CCN(C[C@@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O2/c1-16-8-7-11-19(14-16)25-17(2)21(24)23-13-12-22(3)15-20(23)18-9-5-4-6-10-18/h4-11,14,17,20H,12-13,15H2,1-3H3/t17-,20+/m0/s1