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

Systemtic Name: 4-[3-(4-bromanylbutoxy)-4-methoxy-phenyl]-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-[3-(4-bromobutoxy)-4-methoxy-phenyl]-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-[3-(4-bromobutoxy)-4-methoxyphenyl]-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-[3-(4-bromobutoxy)-4-methoxyphenyl]-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-[3-(4-bromobutoxy)-4-methoxy-phenyl]-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C25H27BrN2O3 MolecularWeight: 483.39748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=CC=C4)OCCCCBr

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=CC=C4)OCCCCBr

InChI

InChI=1S/C25H27BrN2O3/c1-30-22-14-13-18(17-23(22)31-16-8-7-15-26)24-20-11-5-6-12-21(20)25(29)28(27-24)19-9-3-2-4-10-19/h2-6,9-10,13-14,17,20-21H,7-8,11-12,15-16H2,1H3