(3S)-N-(4-bromanyl-2-ethyl-phenyl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(4-bromanyl-2-ethyl-phenyl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxamide Openeye Name: (3S)-1-benzyl-N-(4-bromo-2-ethyl-phenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-benzyl-N-(4-bromo-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-benzyl-N-(4-bromo-2-ethyl-phenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C20H21BrN2O2 MolecularWeight: 401.29694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)NC(=O)[C@H]2CC(=O)N(C2)CC3=CC=CC=C3

InChI

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