(2R,5S)-N-(4-bromophenyl)-5-[(2S)-2-cyanopyrrolidin-1-yl]carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2R,5S)-N-(4-bromophenyl)-5-[(2S)-2-cyanopyrrolidin-1-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2R,5S)-N-(4-bromophenyl)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2R,5S)-N-(4-bromophenyl)-5-[[(2S)-2-cyano-1-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R,5S)-N-(4-bromophenyl)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2R,5S)-N-(4-bromophenyl)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidine-2-carboxamide Formula: C17H19BrN4O2 MolecularWeight: 391.26236

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCC(N2)C(=O)NC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H]2CC[C@@H](N2)C(=O)NC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C17H19BrN4O2/c18-11-3-5-12(6-4-11)20-16(23)14-7-8-15(21-14)17(24)22-9-1-2-13(22)10-19/h3-6,13-15,21H,1-2,7-9H2,(H,20,23)/t13-,14+,15-/m0/s1