3-[4-[3-(3-bromanyl-4-oxidanyl-phenoxy)propoxy]-3-chloranyl-phenyl]-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[4-[3-(3-bromanyl-4-oxidanyl-phenoxy)propoxy]-3-chloranyl-phenyl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[4-[3-(3-bromo-4-hydroxy-phenoxy)propoxy]-3-chloro-phenyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[4-[3-(3-bromo-4-hydroxyphenoxy)propoxy]-3-chlorophenyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[4-[3-(3-bromo-4-hydroxyphenoxy)propoxy]-3-chlorophenyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[4-[3-(3-bromo-4-hydroxy-phenoxy)propoxy]-3-chloro-phenyl]-4,5-dihydro-1H-pyridazin-6-one Formula: C19H18BrClN2O4 MolecularWeight: 453.71422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C2=CC(=C(C=C2)OCCCOC3=CC(=C(C=C3)O)Br)Cl

Isomeric SMILES

C1CC(=O)NN=C1C2=CC(=C(C=C2)OCCCOC3=CC(=C(C=C3)O)Br)Cl

InChI

InChI=1S/C19H18BrClN2O4/c20-14-11-13(3-5-17(14)24)26-8-1-9-27-18-6-2-12(10-15(18)21)16-4-7-19(25)23-22-16/h2-3,5-6,10-11,24H,1,4,7-9H2,(H,23,25)