(2R)-N-(4-benzamidocyclohexyl)-1-(3-bromophenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-(4-benzamidocyclohexyl)-1-(3-bromophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2R)-N-(4-benzamidocyclohexyl)-1-(3-bromobenzoyl)pyrrolidine-2-carboxamide CAS Name: (2R)-N-(4-benzamidocyclohexyl)-1-[(3-bromophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-(4-benzamidocyclohexyl)-1-(3-bromobenzoyl)pyrrolidine-2-carboxamide Traditional Name: (2R)-N-(4-benzamidocyclohexyl)-1-(3-bromobenzoyl)pyrrolidine-2-carboxamide Formula: C25H28BrN3O3 MolecularWeight: 498.41212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)Br)C(=O)NC3CCC(CC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2=CC(=CC=C2)Br)C(=O)NC3CCC(CC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H28BrN3O3/c26-19-9-4-8-18(16-19)25(32)29-15-5-10-22(29)24(31)28-21-13-11-20(12-14-21)27-23(30)17-6-2-1-3-7-17/h1-4,6-9,16,20-22H,5,10-15H2,(H,27,30)(H,28,31)/t20?,21?,22-/m1/s1