N-(1H-benzimidazol-2-ylmethyl)-1-[(5-bromanyl-2-ethoxy-phenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-1-[(5-bromanyl-2-ethoxy-phenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-1-[(5-bromo-2-ethoxy-phenyl)methyl]-4-hydroxy-pyrrolidine-2-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-1-[(5-bromo-2-ethoxyphenyl)methyl]-4-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-1-[(5-bromo-2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromo-2-ethoxy-benzyl)-4-hydroxy-pyrrolidine-2-carboxamide Formula: C22H25BrN4O3 MolecularWeight: 473.3629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)CN2CC(CC2C(=O)NCC3=NC4=CC=CC=C4N3)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)CN2CC(CC2C(=O)NCC3=NC4=CC=CC=C4N3)O

InChI

InChI=1S/C22H25BrN4O3/c1-2-30-20-8-7-15(23)9-14(20)12-27-13-16(28)10-19(27)22(29)24-11-21-25-17-5-3-4-6-18(17)26-21/h3-9,16,19,28H,2,10-13H2,1H3,(H,24,29)(H,25,26)