(3S)-N-(4-bromanyl-2-methyl-phenyl)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(4-bromanyl-2-methyl-phenyl)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(4-bromo-2-methyl-phenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-2-methylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(4-bromo-2-methylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Traditional Name: (3S)-N-(4-bromo-2-methyl-phenyl)-5-keto-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Formula: C20H21BrN2O2 MolecularWeight: 401.29694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2CC(=O)N(C2)C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)[C@H]2CC(=O)N(C2)[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C20H21BrN2O2/c1-13-10-17(21)8-9-18(13)22-20(25)16-11-19(24)23(12-16)14(2)15-6-4-3-5-7-15/h3-10,14,16H,11-12H2,1-2H3,(H,22,25)/t14-,16+/m1/s1