(2S)-N-[(3,5-dimethylphenyl)methyl]-2-(4-fluoranyl-2-methyl-phenyl)-N-methyl-piperazine-1-carboxamide

Systemtic Name: (2S)-N-[(3,5-dimethylphenyl)methyl]-2-(4-fluoranyl-2-methyl-phenyl)-N-methyl-piperazine-1-carboxamide Openeye Name: (2S)-N-[(3,5-dimethylphenyl)methyl]-2-(4-fluoro-2-methyl-phenyl)-N-methyl-piperazine-1-carboxamide CAS Name: (2S)-N-[(3,5-dimethylphenyl)methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-1-piperazinecarboxamide IUPAC Name: (2S)-N-[(3,5-dimethylphenyl)methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide Traditional Name: (2S)-N-(3,5-dimethylbenzyl)-2-(4-fluoro-2-methyl-phenyl)-N-methyl-piperazine-1-carboxamide Formula: C22H28FN3O MolecularWeight: 369.475623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN(C)C(=O)N2CCNCC2C3=C(C=C(C=C3)F)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN(C)C(=O)N2CCNC[C@@H]2C3=C(C=C(C=C3)F)C)C

InChI

InChI=1S/C22H28FN3O/c1-15-9-16(2)11-18(10-15)14-25(4)22(27)26-8-7-24-13-21(26)20-6-5-19(23)12-17(20)3/h5-6,9-12,21,24H,7-8,13-14H2,1-4H3/t21-/m1/s1