N-[4-(2-chloranylpyridin-3-yl)oxyphenyl]-6-(2-piperidin-3-ylethynyl)quinazolin-4-amine

Systemtic Name: N-[4-(2-chloranylpyridin-3-yl)oxyphenyl]-6-(2-piperidin-3-ylethynyl)quinazolin-4-amine Openeye Name: N-[4-[(2-chloro-3-pyridyl)oxy]phenyl]-6-[2-(3-piperidyl)ethynyl]quinazolin-4-amine CAS Name: N-[4-[(2-chloro-3-pyridinyl)oxy]phenyl]-6-[2-(3-piperidinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-[4-(2-chloropyridin-3-yl)oxyphenyl]-6-(2-piperidin-3-ylethynyl)quinazolin-4-amine Traditional Name: [4-[(2-chloro-3-pyridyl)oxy]phenyl]-[6-[2-(3-piperidyl)ethynyl]quinazolin-4-yl]amine Formula: C26H22ClN5O MolecularWeight: 455.93878

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OC5=C(N=CC=C5)Cl

Isomeric SMILES

C1CC(CNC1)C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OC5=C(N=CC=C5)Cl

InChI

InChI=1S/C26H22ClN5O/c27-25-24(4-2-14-29-25)33-21-10-8-20(9-11-21)32-26-22-15-18(7-12-23(22)30-17-31-26)5-6-19-3-1-13-28-16-19/h2,4,7-12,14-15,17,19,28H,1,3,13,16H2,(H,30,31,32)