(3S)-N-(4-bromanyl-3,5-dimethyl-phenyl)-1-(3,5-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(4-bromanyl-3,5-dimethyl-phenyl)-1-(3,5-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(4-bromo-3,5-dimethyl-phenyl)-1-(3,5-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-3,5-dimethylphenyl)-1-(3,5-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(4-bromo-3,5-dimethylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-(4-bromo-3,5-dimethyl-phenyl)-1-(3,5-dimethylphenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C21H23BrN2O2 MolecularWeight: 415.32352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CC(CC2=O)C(=O)NC3=CC(=C(C(=C3)C)Br)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C[C@H](CC2=O)C(=O)NC3=CC(=C(C(=C3)C)Br)C)C

InChI

InChI=1S/C21H23BrN2O2/c1-12-5-13(2)7-18(6-12)24-11-16(10-19(24)25)21(26)23-17-8-14(3)20(22)15(4)9-17/h5-9,16H,10-11H2,1-4H3,(H,23,26)/t16-/m0/s1