4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]-2-methyl-butan-2-ol

Systemtic Name: 4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]-2-methyl-butan-2-ol Openeye Name: 4-[4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-1-yl]-2-methyl-butan-2-ol CAS Name: 4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-1-phthalazinyl]-2-methyl-2-butanol IUPAC Name: 4-[4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-1-yl]-2-methylbutan-2-ol Traditional Name: 4-[4-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-1-yl]-2-methyl-butan-2-ol Formula: C21H24ClN3O2 MolecularWeight: 385.88716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=NN=C(C2=CC=CC=C21)NCC3=CC(=C(C=C3)OC)Cl)O

Isomeric SMILES

CC(C)(CCC1=NN=C(C2=CC=CC=C21)NCC3=CC(=C(C=C3)OC)Cl)O

InChI

InChI=1S/C21H24ClN3O2/c1-21(2,26)11-10-18-15-6-4-5-7-16(15)20(25-24-18)23-13-14-8-9-19(27-3)17(22)12-14/h4-9,12,26H,10-11,13H2,1-3H3,(H,23,25)