3-[(4-bromophenyl)methyl]azepan-2-one

Systemtic Name: 3-[(4-bromophenyl)methyl]azepan-2-one Openeye Name: 3-[(4-bromophenyl)methyl]azepan-2-one CAS Name: 3-[(4-bromophenyl)methyl]-2-azepanone IUPAC Name: 3-[(4-bromophenyl)methyl]azepan-2-one Traditional Name: 3-(4-bromobenzyl)azepan-2-one Formula: C13H16BrNO MolecularWeight: 282.17624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)CC2=CC=C(C=C2)Br

Isomeric SMILES

C1CCNC(=O)C(C1)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H16BrNO/c14-12-6-4-10(5-7-12)9-11-3-1-2-8-15-13(11)16/h4-7,11H,1-3,8-9H2,(H,15,16)