2-[(4-bromanylphenoxy)methyl]-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[(4-bromanylphenoxy)methyl]-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(4-bromophenoxy)methyl]-5-(1-phenylethylamino)oxazole-4-carbonitrile CAS Name: 2-[(4-bromophenoxy)methyl]-5-(1-phenylethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[(4-bromophenoxy)methyl]-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(4-bromophenoxy)methyl]-5-(1-phenylethylamino)oxazole-4-carbonitrile Formula: C19H16BrN3O2 MolecularWeight: 398.25324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=C(N=C(O2)COC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=C(N=C(O2)COC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C19H16BrN3O2/c1-13(14-5-3-2-4-6-14)22-19-17(11-21)23-18(25-19)12-24-16-9-7-15(20)8-10-16/h2-10,13,22H,12H2,1H3