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

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-4-[(6-methoxypyridin-3-yl)methyl]phthalazin-1-amine Openeye Name: N-(3-bromo-4-methyl-phenyl)-4-[(6-methoxy-3-pyridyl)methyl]phthalazin-1-amine CAS Name: N-(3-bromo-4-methylphenyl)-4-[(6-methoxy-3-pyridinyl)methyl]-1-phthalazinamine IUPAC Name: N-(3-bromo-4-methylphenyl)-4-[(6-methoxypyridin-3-yl)methyl]phthalazin-1-amine Traditional Name: (3-bromo-4-methyl-phenyl)-[4-[(6-methoxy-3-pyridyl)methyl]phthalazin-1-yl]amine Formula: C22H19BrN4O MolecularWeight: 435.31646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CN=C(C=C4)OC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CN=C(C=C4)OC)Br

InChI

InChI=1S/C22H19BrN4O/c1-14-7-9-16(12-19(14)23)25-22-18-6-4-3-5-17(18)20(26-27-22)11-15-8-10-21(28-2)24-13-15/h3-10,12-13H,11H2,1-2H3,(H,25,27)