N-(3-bromanyl-4-methyl-phenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine Openeye Name: N-(3-bromo-4-methyl-phenyl)-4-(4-pyridylmethyl)phthalazin-1-amine CAS Name: N-(3-bromo-4-methylphenyl)-4-(pyridin-4-ylmethyl)-1-phthalazinamine IUPAC Name: N-(3-bromo-4-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine Traditional Name: (3-bromo-4-methyl-phenyl)-[4-(4-pyridylmethyl)phthalazin-1-yl]amine Formula: C21H17BrN4 MolecularWeight: 405.29048

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=CC=NC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN4/c1-14-6-7-16(13-19(14)22)24-21-18-5-3-2-4-17(18)20(25-26-21)12-15-8-10-23-11-9-15/h2-11,13H,12H2,1H3,(H,24,26)