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

Systemtic Name: 4-[2-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-4-ol Openeye Name: 4-[2-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]ethynyl]piperidin-4-ol CAS Name: 4-[2-[4-[3-methyl-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]ethynyl]-4-piperidinol IUPAC Name: 4-[2-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]ethynyl]piperidin-4-ol Traditional Name: 4-[2-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]ethynyl]piperidin-4-ol Formula: C27H25N5O2 MolecularWeight: 451.5197

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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)OC5=CN=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCNCC4)O)OC5=CN=CC=C5

InChI

InChI=1S/C27H25N5O2/c1-19-15-21(5-7-25(19)34-22-3-2-12-29-17-22)32-26-23-16-20(4-6-24(23)30-18-31-26)8-9-27(33)10-13-28-14-11-27/h2-7,12,15-18,28,33H,10-11,13-14H2,1H3,(H,30,31,32)