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

Systemtic Name: 1-methyl-4-[2-[4-[[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]amino]quinazolin-6-yl]ethynyl]piperidin-4-ol Openeye Name: 1-methyl-4-[2-[4-[3-methyl-4-(2-pyridylmethoxy)anilino]quinazolin-6-yl]ethynyl]piperidin-4-ol CAS Name: 1-methyl-4-[2-[4-[3-methyl-4-(2-pyridinylmethoxy)anilino]-6-quinazolinyl]ethynyl]-4-piperidinol IUPAC Name: 1-methyl-4-[2-[4-[3-methyl-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]ethynyl]piperidin-4-ol Traditional Name: 1-methyl-4-[2-[4-[3-methyl-4-(2-pyridylmethoxy)anilino]quinazolin-6-yl]ethynyl]piperidin-4-ol Formula: C29H29N5O2 MolecularWeight: 479.57286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N5O2/c1-21-17-23(7-9-27(21)36-19-24-5-3-4-14-30-24)33-28-25-18-22(6-8-26(25)31-20-32-28)10-11-29(35)12-15-34(2)16-13-29/h3-9,14,17-18,20,35H,12-13,15-16,19H2,1-2H3,(H,31,32,33)