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

Systemtic Name: 5-(azepan-1-yl)-2-[(4-bromanylphenoxy)methyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-[(4-bromophenoxy)methyl]oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-[(4-bromophenoxy)methyl]-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-[(4-bromophenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-[(4-bromophenoxy)methyl]oxazole-4-carbonitrile Formula: C17H18BrN3O2 MolecularWeight: 376.24772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C(O2)COC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)COC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C17H18BrN3O2/c18-13-5-7-14(8-6-13)22-12-16-20-15(11-19)17(23-16)21-9-3-1-2-4-10-21/h5-8H,1-4,9-10,12H2