1-(9-bromanylphenanthren-3-yl)-2-(dibutylamino)propan-1-one chloride

Systemtic Name: 1-(9-bromanylphenanthren-3-yl)-2-(dibutylamino)propan-1-one chloride Openeye Name: 1-(9-bromo-3-phenanthryl)-2-(dibutylamino)propan-1-one chloride CAS Name: 1-(9-bromo-3-phenanthrenyl)-2-(dibutylamino)-1-propanone chloride IUPAC Name: 1-(9-bromophenanthren-3-yl)-2-(dibutylamino)propan-1-one chloride Traditional Name: 1-(9-bromo-3-phenanthryl)-2-(dibutylamino)propan-1-one chloride Formula: C25H30BrClNO- MolecularWeight: 475.8688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(C)C(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br.[Cl-]

Isomeric SMILES

CCCCN(CCCC)C(C)C(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br.[Cl-]

InChI

InChI=1S/C25H30BrNO.ClH/c1-4-6-14-27(15-7-5-2)18(3)25(28)20-13-12-19-17-24(26)22-11-9-8-10-21(22)23(19)16-20;/h8-13,16-18H,4-7,14-15H2,1-3H3;1H/p-1