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

Systemtic Name: (3S)-N-(4-bromanyl-3,5-dimethyl-phenyl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxamide Openeye Name: (3S)-1-benzyl-N-(4-bromo-3,5-dimethyl-phenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-3,5-dimethylphenyl)-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-benzyl-N-(4-bromo-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-benzyl-N-(4-bromo-3,5-dimethyl-phenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C20H21BrN2O2 MolecularWeight: 401.29694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)NC(=O)[C@H]2CC(=O)N(C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H21BrN2O2/c1-13-8-17(9-14(2)19(13)21)22-20(25)16-10-18(24)23(12-16)11-15-6-4-3-5-7-15/h3-9,16H,10-12H2,1-2H3,(H,22,25)/t16-/m0/s1