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

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

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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#CC5CCCNC5)F

Isomeric SMILES

CC1=C(C=CC=N1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC5CCCNC5)F

InChI

InChI=1S/C27H24FN5O/c1-18-25(5-3-13-30-18)34-26-11-9-21(15-23(26)28)33-27-22-14-19(8-10-24(22)31-17-32-27)6-7-20-4-2-12-29-16-20/h3,5,8-11,13-15,17,20,29H,2,4,12,16H2,1H3,(H,31,32,33)