3-[4-[4-(4-bromanylbutoxy)phenyl]phenyl]-1,5-dipyridin-4-yl-pentane-1,5-dione

Systemtic Name: 3-[4-[4-(4-bromanylbutoxy)phenyl]phenyl]-1,5-dipyridin-4-yl-pentane-1,5-dione Openeye Name: 3-[4-[4-(4-bromobutoxy)phenyl]phenyl]-1,5-bis(4-pyridyl)pentane-1,5-dione CAS Name: 3-[4-[4-(4-bromobutoxy)phenyl]phenyl]-1,5-dipyridin-4-ylpentane-1,5-dione IUPAC Name: 3-[4-[4-(4-bromobutoxy)phenyl]phenyl]-1,5-dipyridin-4-ylpentane-1,5-dione Traditional Name: 3-[4-[4-(4-bromobutoxy)phenyl]phenyl]-1,5-bis(4-pyridyl)pentane-1,5-dione Formula: C31H29BrN2O3 MolecularWeight: 557.47756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)OCCCCBr)C(CC(=O)C3=CC=NC=C3)CC(=O)C4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)OCCCCBr)C(CC(=O)C3=CC=NC=C3)CC(=O)C4=CC=NC=C4

InChI

InChI=1S/C31H29BrN2O3/c32-15-1-2-20-37-29-9-7-24(8-10-29)23-3-5-25(6-4-23)28(21-30(35)26-11-16-33-17-12-26)22-31(36)27-13-18-34-19-14-27/h3-14,16-19,28H,1-2,15,20-22H2