N-[2-(3-bromanyl-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide

Systemtic Name: N-[2-(3-bromanyl-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide Openeye Name: N-[2-(3-bromo-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide CAS Name: N-[2-(3-bromo-4-methoxyphenyl)ethyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(3-bromo-4-methoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(3-bromo-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide Formula: C21H23BrN6O2 MolecularWeight: 471.35032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCCN2C3=NC(=NC=C3)N4C=CN=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCCN2C3=NC(=NC=C3)N4C=CN=C4)Br

InChI

InChI=1S/C21H23BrN6O2/c1-30-18-5-4-15(13-16(18)22)6-8-24-20(29)17-3-2-11-28(17)19-7-9-25-21(26-19)27-12-10-23-14-27/h4-5,7,9-10,12-14,17H,2-3,6,8,11H2,1H3,(H,24,29)