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

Systemtic Name: 4-[3-(4-bromanylbutoxy)-4-methoxy-phenyl]-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-[3-(4-bromobutoxy)-4-methoxy-phenyl]-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-[3-(4-bromobutoxy)-4-methoxyphenyl]-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-[3-(4-bromobutoxy)-4-methoxyphenyl]-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-[3-(4-bromobutoxy)-4-methoxy-phenyl]-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C26H35BrN2O3 MolecularWeight: 503.4717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35BrN2O3/c1-31-23-15-14-19(18-24(23)32-17-9-8-16-27)25-21-12-6-7-13-22(21)26(30)29(28-25)20-10-4-2-3-5-11-20/h6-7,14-15,18,20-22H,2-5,8-13,16-17H2,1H3