1-(azepan-1-yl)-3-bromanyl-4-phenyl-butane-1,2,4-trione

Systemtic Name: 1-(azepan-1-yl)-3-bromanyl-4-phenyl-butane-1,2,4-trione Openeye Name: 1-(azepan-1-yl)-3-bromo-4-phenyl-butane-1,2,4-trione CAS Name: 1-(1-azepanyl)-3-bromo-4-phenylbutane-1,2,4-trione IUPAC Name: 1-(azepan-1-yl)-3-bromo-4-phenylbutane-1,2,4-trione Traditional Name: 1-(azepan-1-yl)-3-bromo-4-phenyl-butane-1,2,4-trione Formula: C16H18BrNO3 MolecularWeight: 352.22302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=O)C(C(=O)C2=CC=CC=C2)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)C(=O)C(C(=O)C2=CC=CC=C2)Br

InChI

InChI=1S/C16H18BrNO3/c17-13(14(19)12-8-4-3-5-9-12)15(20)16(21)18-10-6-1-2-7-11-18/h3-5,8-9,13H,1-2,6-7,10-11H2