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

Systemtic Name: 1-methyl-4-[2-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-4-ol Openeye Name: 1-methyl-4-[2-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]ethynyl]piperidin-4-ol CAS Name: 1-methyl-4-[2-[4-[3-methyl-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]ethynyl]-4-piperidinol IUPAC Name: 1-methyl-4-[2-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]ethynyl]piperidin-4-ol Traditional Name: 1-methyl-4-[2-[4-[3-methyl-4-(3-pyridyloxy)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(CCN(CC4)C)O)OC5=CN=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCN(CC4)C)O)OC5=CN=CC=C5

InChI

InChI=1S/C28H27N5O2/c1-20-16-22(6-8-26(20)35-23-4-3-13-29-18-23)32-27-24-17-21(5-7-25(24)30-19-31-27)9-10-28(34)11-14-33(2)15-12-28/h3-8,13,16-19,34H,11-12,14-15H2,1-2H3,(H,30,31,32)