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

Systemtic Name: N-(3-bromanyl-4-ethyl-phenyl)-4-[(6-methoxypyridin-3-yl)methyl]phthalazin-1-amine Openeye Name: N-(3-bromo-4-ethyl-phenyl)-4-[(6-methoxy-3-pyridyl)methyl]phthalazin-1-amine CAS Name: N-(3-bromo-4-ethylphenyl)-4-[(6-methoxy-3-pyridinyl)methyl]-1-phthalazinamine IUPAC Name: N-(3-bromo-4-ethylphenyl)-4-[(6-methoxypyridin-3-yl)methyl]phthalazin-1-amine Traditional Name: (3-bromo-4-ethyl-phenyl)-[4-[(6-methoxy-3-pyridyl)methyl]phthalazin-1-yl]amine Formula: C23H21BrN4O MolecularWeight: 449.34304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CN=C(C=C4)OC)Br

Isomeric SMILES

CCC1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CN=C(C=C4)OC)Br

InChI

InChI=1S/C23H21BrN4O/c1-3-16-9-10-17(13-20(16)24)26-23-19-7-5-4-6-18(19)21(27-28-23)12-15-8-11-22(29-2)25-14-15/h4-11,13-14H,3,12H2,1-2H3,(H,26,28)