1-(5-bromanyl-1H-indol-3-yl)-3,5,5-trimethyl-hexan-1-one

Systemtic Name: 1-(5-bromanyl-1H-indol-3-yl)-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-(5-bromo-1H-indol-3-yl)-3,5,5-trimethyl-hexan-1-one CAS Name: 1-(5-bromo-1H-indol-3-yl)-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-(5-bromo-1H-indol-3-yl)-3,5,5-trimethylhexan-1-one Traditional Name: 1-(5-bromo-1H-indol-3-yl)-3,5,5-trimethyl-hexan-1-one Formula: C17H22BrNO MolecularWeight: 336.26668

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CNC2=C1C=C(C=C2)Br)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)C1=CNC2=C1C=C(C=C2)Br)CC(C)(C)C

InChI

InChI=1S/C17H22BrNO/c1-11(9-17(2,3)4)7-16(20)14-10-19-15-6-5-12(18)8-13(14)15/h5-6,8,10-11,19H,7,9H2,1-4H3