N-[2-(4-bromophenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide

Systemtic Name: N-[2-(4-bromophenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide Openeye Name: N-[2-(4-bromophenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide CAS Name: N-[2-(4-bromophenyl)ethyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(4-bromophenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(4-bromophenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide Formula: C20H21BrN6O MolecularWeight: 441.32434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCCC4=CC=C(C=C4)Br

Isomeric SMILES

C1CC(N(C1)C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCCC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H21BrN6O/c21-16-5-3-15(4-6-16)7-9-23-19(28)17-2-1-12-27(17)18-8-10-24-20(25-18)26-13-11-22-14-26/h3-6,8,10-11,13-14,17H,1-2,7,9,12H2,(H,23,28)