3-[[4-(4-bromanylphenoxy)phenyl]amino]azepan-2-one

Systemtic Name: 3-[[4-(4-bromanylphenoxy)phenyl]amino]azepan-2-one Openeye Name: 3-[4-(4-bromophenoxy)anilino]azepan-2-one CAS Name: 3-[4-(4-bromophenoxy)anilino]-2-azepanone IUPAC Name: 3-[4-(4-bromophenoxy)anilino]azepan-2-one Traditional Name: 3-[4-(4-bromophenoxy)anilino]azepan-2-one Formula: C18H19BrN2O2 MolecularWeight: 375.25966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCNC(=O)C(C1)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H19BrN2O2/c19-13-4-8-15(9-5-13)23-16-10-6-14(7-11-16)21-17-3-1-2-12-20-18(17)22/h4-11,17,21H,1-3,12H2,(H,20,22)