4-[4-(4-bromanylphenoxy)phenyl]-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one

Systemtic Name: 4-[4-(4-bromanylphenoxy)phenyl]-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one Openeye Name: 4-[4-(4-bromophenoxy)phenyl]-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one CAS Name: 4-[4-(4-bromophenoxy)phenyl]-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one IUPAC Name: 4-[4-(4-bromophenoxy)phenyl]-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one Traditional Name: 4-[4-(4-bromophenoxy)phenyl]-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one Formula: C20H19BrN2O2 MolecularWeight: 399.28106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=NNC2=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC2C(C1)C(=NNC2=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H19BrN2O2/c21-14-7-11-16(12-8-14)25-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)20(24)23-22-19/h5-12,17-18H,1-4H2,(H,23,24)