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

Systemtic Name: (2S)-N-[(2,4-dimethylphenyl)methyl]-2-(4-fluoranyl-2-methyl-phenyl)-N-methyl-3-oxidanylidene-piperazine-1-carboxamide Openeye Name: (2S)-N-[(2,4-dimethylphenyl)methyl]-2-(4-fluoro-2-methyl-phenyl)-N-methyl-3-oxo-piperazine-1-carboxamide CAS Name: (2S)-N-[(2,4-dimethylphenyl)methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-3-oxo-1-piperazinecarboxamide IUPAC Name: (2S)-N-[(2,4-dimethylphenyl)methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-3-oxopiperazine-1-carboxamide Traditional Name: (2S)-N-(2,4-dimethylbenzyl)-2-(4-fluoro-2-methyl-phenyl)-3-keto-N-methyl-piperazine-1-carboxamide Formula: C22H26FN3O2 MolecularWeight: 383.459143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)N2CCNC(=O)C2C3=C(C=C(C=C3)F)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O2/c1-14-5-6-17(15(2)11-14)13-25(4)22(28)26-10-9-24-21(27)20(26)19-8-7-18(23)12-16(19)3/h5-8,11-12,20H,9-10,13H2,1-4H3,(H,24,27)/t20-/m0/s1