N-[3-bromanyl-5-(trifluoromethyl)phenyl]-4-[(2-methylpyridin-4-yl)methyl]phthalazin-1-amine

Systemtic Name: N-[3-bromanyl-5-(trifluoromethyl)phenyl]-4-[(2-methylpyridin-4-yl)methyl]phthalazin-1-amine Openeye Name: N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[(2-methyl-4-pyridyl)methyl]phthalazin-1-amine CAS Name: N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[(2-methyl-4-pyridinyl)methyl]-1-phthalazinamine IUPAC Name: N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[(2-methylpyridin-4-yl)methyl]phthalazin-1-amine Traditional Name: [3-bromo-5-(trifluoromethyl)phenyl]-[4-[(2-methyl-4-pyridyl)methyl]phthalazin-1-yl]amine Formula: C22H16BrF3N4 MolecularWeight: 473.28845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)CC2=NN=C(C3=CC=CC=C32)NC4=CC(=CC(=C4)C(F)(F)F)Br

Isomeric SMILES

CC1=NC=CC(=C1)CC2=NN=C(C3=CC=CC=C32)NC4=CC(=CC(=C4)C(F)(F)F)Br

InChI

InChI=1S/C22H16BrF3N4/c1-13-8-14(6-7-27-13)9-20-18-4-2-3-5-19(18)21(30-29-20)28-17-11-15(22(24,25)26)10-16(23)12-17/h2-8,10-12H,9H2,1H3,(H,28,30)