3-[2-[4-[[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]amino]quinazolin-6-yl]ethynyl]piperidin-3-ol

Systemtic Name: 3-[2-[4-[[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-[3-methyl-4-(2-pyridylmethoxy)anilino]quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-[3-methyl-4-(2-pyridinylmethoxy)anilino]-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-[3-methyl-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-[3-methyl-4-(2-pyridylmethoxy)anilino]quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)OCC5=CC=CC=N5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)OCC5=CC=CC=N5

InChI

InChI=1S/C28H27N5O2/c1-20-15-22(7-9-26(20)35-17-23-5-2-3-14-30-23)33-27-24-16-21(6-8-25(24)31-19-32-27)10-12-28(34)11-4-13-29-18-28/h2-3,5-9,14-16,19,29,34H,4,11,13,17-18H2,1H3,(H,31,32,33)