4-[4-(6-bromanylhexoxy)-3-methoxy-phenyl]-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-[4-(6-bromanylhexoxy)-3-methoxy-phenyl]-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-[4-(6-bromohexoxy)-3-methoxy-phenyl]-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-[4-(6-bromohexoxy)-3-methoxyphenyl]-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-[4-(6-bromohexoxy)-3-methoxyphenyl]-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-[4-(6-bromohexoxy)-3-methoxy-phenyl]-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C28H39BrN2O3 MolecularWeight: 531.52486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OCCCCCCBr

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OCCCCCCBr

InChI

InChI=1S/C28H39BrN2O3/c1-33-26-20-21(16-17-25(26)34-19-11-5-4-10-18-29)27-23-14-8-9-15-24(23)28(32)31(30-27)22-12-6-2-3-7-13-22/h8-9,16-17,20,22-24H,2-7,10-15,18-19H2,1H3