(2S)-2-chloranyl-1-[4-(3,4-dimethylphenyl)carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-chloranyl-1-[4-(3,4-dimethylphenyl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: (2S)-2-chloro-1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]propan-1-one CAS Name: (2S)-2-chloro-1-[4-[(3,4-dimethylphenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-chloro-1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]propan-1-one Traditional Name: (2S)-2-chloro-1-[4-(3,4-dimethylbenzoyl)piperazino]propan-1-one Formula: C16H21ClN2O2 MolecularWeight: 308.80314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C(C)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)[C@H](C)Cl)C

InChI

InChI=1S/C16H21ClN2O2/c1-11-4-5-14(10-12(11)2)16(21)19-8-6-18(7-9-19)15(20)13(3)17/h4-5,10,13H,6-9H2,1-3H3/t13-/m0/s1