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

Systemtic Name: 4-[2-[4-[[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]amino]quinazolin-6-yl]ethynyl]piperidin-4-ol Openeye Name: 4-[2-[4-[3-methyl-4-(2-pyridylmethoxy)anilino]quinazolin-6-yl]ethynyl]piperidin-4-ol CAS Name: 4-[2-[4-[3-methyl-4-(2-pyridinylmethoxy)anilino]-6-quinazolinyl]ethynyl]-4-piperidinol IUPAC Name: 4-[2-[4-[3-methyl-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]ethynyl]piperidin-4-ol Traditional Name: 4-[2-[4-[3-methyl-4-(2-pyridylmethoxy)anilino]quinazolin-6-yl]ethynyl]piperidin-4-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(CCNCC4)O)OCC5=CC=CC=N5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCNCC4)O)OCC5=CC=CC=N5

InChI

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