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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(4-bromanylphenoxy)methyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(4-bromophenoxy)methyl]oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(4-bromophenoxy)methyl]-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(4-bromophenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(4-bromophenoxy)methyl]-5-(piperonylamino)oxazole-4-carbonitrile Formula: C19H14BrN3O4 MolecularWeight: 428.23616

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(N=C(O3)COC4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(N=C(O3)COC4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C19H14BrN3O4/c20-13-2-4-14(5-3-13)24-10-18-23-15(8-21)19(27-18)22-9-12-1-6-16-17(7-12)26-11-25-16/h1-7,22H,9-11H2