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

Systemtic Name: N-[3-chloranyl-4-(6-methylpyridin-3-yl)oxy-phenyl]-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Openeye Name: N-[3-chloro-4-[(6-methyl-3-pyridyl)oxy]phenyl]-6-[2-(4-piperidyl)ethynyl]quinazolin-4-amine CAS Name: N-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[2-(4-piperidinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-[3-chloro-4-(6-methylpyridin-3-yl)oxyphenyl]-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Traditional Name: [3-chloro-4-[(6-methyl-3-pyridyl)oxy]phenyl]-[6-[2-(4-piperidyl)ethynyl]quinazolin-4-yl]amine Formula: C27H24ClN5O MolecularWeight: 469.96536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC5CCNCC5)Cl

Isomeric SMILES

CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC5CCNCC5)Cl

InChI

InChI=1S/C27H24ClN5O/c1-18-2-7-22(16-30-18)34-26-9-6-21(15-24(26)28)33-27-23-14-20(5-8-25(23)31-17-32-27)4-3-19-10-12-29-13-11-19/h2,5-9,14-17,19,29H,10-13H2,1H3,(H,31,32,33)