3-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methylamino]azepan-2-one

Systemtic Name: 3-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methylamino]azepan-2-one Openeye Name: 3-[(3,5-dibromo-4-methoxy-phenyl)methylamino]azepan-2-one CAS Name: 3-[(3,5-dibromo-4-methoxyphenyl)methylamino]-2-azepanone IUPAC Name: 3-[(3,5-dibromo-4-methoxyphenyl)methylamino]azepan-2-one Traditional Name: 3-[(3,5-dibromo-4-methoxy-benzyl)amino]azepan-2-one Formula: C14H18Br2N2O2 MolecularWeight: 406.11292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)CNC2CCCCNC2=O)Br

Isomeric SMILES

COC1=C(C=C(C=C1Br)CNC2CCCCNC2=O)Br

InChI

InChI=1S/C14H18Br2N2O2/c1-20-13-10(15)6-9(7-11(13)16)8-18-12-4-2-3-5-17-14(12)19/h6-7,12,18H,2-5,8H2,1H3,(H,17,19)