(3R,4S)-N-[bis(azanyl)methylidene]-4-(4-bromophenyl)-1-methyl-pyrrolidine-3-carboxamide

Systemtic Name: (3R,4S)-N-[bis(azanyl)methylidene]-4-(4-bromophenyl)-1-methyl-pyrrolidine-3-carboxamide Openeye Name: (3R,4S)-4-(4-bromophenyl)-N-(diaminomethylene)-1-methyl-pyrrolidine-3-carboxamide CAS Name: (3R,4S)-4-(4-bromophenyl)-N-(diaminomethylidene)-1-methyl-3-pyrrolidinecarboxamide IUPAC Name: (3R,4S)-4-(4-bromophenyl)-N-(diaminomethylidene)-1-methylpyrrolidine-3-carboxamide Traditional Name: (3R,4S)-4-(4-bromophenyl)-N-(diaminomethylene)-1-methyl-pyrrolidine-3-carboxamide Formula: C13H17BrN4O MolecularWeight: 325.20428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C(C1)C(=O)N=C(N)N)C2=CC=C(C=C2)Br

Isomeric SMILES

CN1C[C@@H]([C@H](C1)C(=O)N=C(N)N)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H17BrN4O/c1-18-6-10(8-2-4-9(14)5-3-8)11(7-18)12(19)17-13(15)16/h2-5,10-11H,6-7H2,1H3,(H4,15,16,17,19)/t10-,11+/m1/s1