N-(3-bromanyl-4-tert-butyl-phenyl)-4-[(6-methoxypyridin-3-yl)methyl]phthalazin-1-amine

Systemtic Name: N-(3-bromanyl-4-tert-butyl-phenyl)-4-[(6-methoxypyridin-3-yl)methyl]phthalazin-1-amine Openeye Name: N-(3-bromo-4-tert-butyl-phenyl)-4-[(6-methoxy-3-pyridyl)methyl]phthalazin-1-amine CAS Name: N-(3-bromo-4-tert-butylphenyl)-4-[(6-methoxy-3-pyridinyl)methyl]-1-phthalazinamine IUPAC Name: N-(3-bromo-4-tert-butylphenyl)-4-[(6-methoxypyridin-3-yl)methyl]phthalazin-1-amine Traditional Name: (3-bromo-4-tert-butyl-phenyl)-[4-[(6-methoxy-3-pyridyl)methyl]phthalazin-1-yl]amine Formula: C25H25BrN4O MolecularWeight: 477.3962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CN=C(C=C4)OC)Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CN=C(C=C4)OC)Br

InChI

InChI=1S/C25H25BrN4O/c1-25(2,3)20-11-10-17(14-21(20)26)28-24-19-8-6-5-7-18(19)22(29-30-24)13-16-9-12-23(31-4)27-15-16/h5-12,14-15H,13H2,1-4H3,(H,28,30)