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

Systemtic Name: 2-[(4-bromanylphenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(4-bromophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]oxazole-4-carbonitrile CAS Name: 2-[(4-bromophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[(4-bromophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(4-bromophenoxy)methyl]-5-(homoveratrylamino)oxazole-4-carbonitrile Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)COC3=CC=C(C=C3)Br)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)COC3=CC=C(C=C3)Br)C#N)OC

InChI

InChI=1S/C21H20BrN3O4/c1-26-18-8-3-14(11-19(18)27-2)9-10-24-21-17(12-23)25-20(29-21)13-28-16-6-4-15(22)5-7-16/h3-8,11,24H,9-10,13H2,1-2H3