1-(9-bromanylphenanthren-3-yl)-2-(dioctylamino)ethanone

Systemtic Name: 1-(9-bromanylphenanthren-3-yl)-2-(dioctylamino)ethanone Openeye Name: 1-(9-bromo-3-phenanthryl)-2-(dioctylamino)ethanone CAS Name: 1-(9-bromo-3-phenanthrenyl)-2-(dioctylamino)ethanone IUPAC Name: 1-(9-bromophenanthren-3-yl)-2-(dioctylamino)ethanone Traditional Name: 1-(9-bromo-3-phenanthryl)-2-(dioctylamino)ethanone Formula: C32H44BrNO MolecularWeight: 538.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)CC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)CC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br

InChI

InChI=1S/C32H44BrNO/c1-3-5-7-9-11-15-21-34(22-16-12-10-8-6-4-2)25-32(35)27-20-19-26-24-31(33)29-18-14-13-17-28(29)30(26)23-27/h13-14,17-20,23-24H,3-12,15-16,21-22,25H2,1-2H3