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

Systemtic Name: 2-[(4-bromanylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(4-bromophenoxy)methyl]-5-(3-pyridylmethylamino)oxazole-4-carbonitrile CAS Name: 2-[(4-bromophenoxy)methyl]-5-(3-pyridinylmethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[(4-bromophenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(4-bromophenoxy)methyl]-5-(3-pyridylmethylamino)oxazole-4-carbonitrile Formula: C17H13BrN4O2 MolecularWeight: 385.21472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(N=C(O2)COC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(N=C(O2)COC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C17H13BrN4O2/c18-13-3-5-14(6-4-13)23-11-16-22-15(8-19)17(24-16)21-10-12-2-1-7-20-9-12/h1-7,9,21H,10-11H2