(2S)-2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-(4-chloro-3,5-dimethyl-phenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-(4-chloro-3,5-dimethylphenoxy)-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-(4-chloro-3,5-dimethylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-(4-chloro-3,5-dimethyl-phenoxy)-1-(4-phenylpiperazino)propan-1-one Formula: C21H25ClN2O2 MolecularWeight: 372.8884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)O[C@@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25ClN2O2/c1-15-13-19(14-16(2)20(15)22)26-17(3)21(25)24-11-9-23(10-12-24)18-7-5-4-6-8-18/h4-8,13-14,17H,9-12H2,1-3H3/t17-/m0/s1