N-[3-fluoranyl-4-(2-methylpyridin-3-yl)oxy-phenyl]-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine

Systemtic Name: N-[3-fluoranyl-4-(2-methylpyridin-3-yl)oxy-phenyl]-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Openeye Name: N-[3-fluoro-4-[(2-methyl-3-pyridyl)oxy]phenyl]-6-[2-(4-piperidyl)ethynyl]quinazolin-4-amine CAS Name: N-[3-fluoro-4-[(2-methyl-3-pyridinyl)oxy]phenyl]-6-[2-(4-piperidinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-[3-fluoro-4-(2-methylpyridin-3-yl)oxyphenyl]-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Traditional Name: [3-fluoro-4-[(2-methyl-3-pyridyl)oxy]phenyl]-[6-[2-(4-piperidyl)ethynyl]quinazolin-4-yl]amine Formula: C27H24FN5O MolecularWeight: 453.510763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC5CCNCC5)F

Isomeric SMILES

CC1=C(C=CC=N1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC5CCNCC5)F

InChI

InChI=1S/C27H24FN5O/c1-18-25(3-2-12-30-18)34-26-9-7-21(16-23(26)28)33-27-22-15-20(6-8-24(22)31-17-32-27)5-4-19-10-13-29-14-11-19/h2-3,6-9,12,15-17,19,29H,10-11,13-14H2,1H3,(H,31,32,33)