N-(3-ethynyl-4-pyridin-3-yloxy-phenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine

Systemtic Name: N-(3-ethynyl-4-pyridin-3-yloxy-phenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Openeye Name: N-[3-ethynyl-4-(3-pyridyloxy)phenyl]-6-[2-(4-piperidyl)ethynyl]quinazolin-4-amine CAS Name: N-[3-ethynyl-4-(3-pyridinyloxy)phenyl]-6-[2-(4-piperidinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-(3-ethynyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Traditional Name: [3-ethynyl-4-(3-pyridyloxy)phenyl]-[6-[2-(4-piperidyl)ethynyl]quinazolin-4-yl]amine Formula: C28H23N5O MolecularWeight: 445.51512

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCNCC4)OC5=CN=CC=C5

Isomeric SMILES

C#CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCNCC4)OC5=CN=CC=C5

InChI

InChI=1S/C28H23N5O/c1-2-22-17-23(8-10-27(22)34-24-4-3-13-30-18-24)33-28-25-16-21(7-9-26(25)31-19-32-28)6-5-20-11-14-29-15-12-20/h1,3-4,7-10,13,16-20,29H,11-12,14-15H2,(H,31,32,33)