2-[[3-bromanyl-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-3-(1H-imidazol-5-yl)propanamide

Systemtic Name: 2-[[3-bromanyl-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-3-(1H-imidazol-5-yl)propanamide Openeye Name: 2-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-3-(1H-imidazol-5-yl)propanamide CAS Name: 2-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-(1H-imidazol-5-yl)propanamide IUPAC Name: 2-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-(1H-imidazol-5-yl)propanamide Traditional Name: 2-[[3-bromo-4-(3-fluorobenzyl)oxy-5-methoxy-benzyl]amino]-3-(1H-imidazol-5-yl)propionamide Formula: C21H22BrFN4O3 MolecularWeight: 477.326783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC(CC2=CN=CN2)C(=O)N)Br)OCC3=CC(=CC=C3)F

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC(CC2=CN=CN2)C(=O)N)Br)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C21H22BrFN4O3/c1-29-19-7-14(9-26-18(21(24)28)8-16-10-25-12-27-16)6-17(22)20(19)30-11-13-3-2-4-15(23)5-13/h2-7,10,12,18,26H,8-9,11H2,1H3,(H2,24,28)(H,25,27)