N-methyl-6-[6-methyl-1-[[3-(trifluoromethyl)phenyl]amino]isoquinolin-5-yl]quinazolin-2-amine

Systemtic Name: N-methyl-6-[6-methyl-1-[[3-(trifluoromethyl)phenyl]amino]isoquinolin-5-yl]quinazolin-2-amine Openeye Name: N-methyl-6-[6-methyl-1-[3-(trifluoromethyl)anilino]-5-isoquinolyl]quinazolin-2-amine CAS Name: N-methyl-6-[6-methyl-1-[3-(trifluoromethyl)anilino]-5-isoquinolinyl]-2-quinazolinamine IUPAC Name: N-methyl-6-[6-methyl-1-[3-(trifluoromethyl)anilino]isoquinolin-5-yl]quinazolin-2-amine Traditional Name: methyl-[6-[6-methyl-1-[3-(trifluoromethyl)anilino]-5-isoquinolyl]quinazolin-2-yl]amine Formula: C26H20F3N5 MolecularWeight: 459.46571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC=CC(=C3)C(F)(F)F)C4=CC5=CN=C(N=C5C=C4)NC

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC=CC(=C3)C(F)(F)F)C4=CC5=CN=C(N=C5C=C4)NC

InChI

InChI=1S/C26H20F3N5/c1-15-6-8-21-20(23(15)16-7-9-22-17(12-16)14-32-25(30-2)34-22)10-11-31-24(21)33-19-5-3-4-18(13-19)26(27,28)29/h3-14H,1-2H3,(H,31,33)(H,30,32,34)