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

Systemtic Name: 3-[2-[4-[[4-(pyridin-2-ylmethyl)phenyl]amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-[4-(2-pyridylmethyl)anilino]quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-[4-(2-pyridinylmethyl)anilino]-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-[4-(pyridin-2-ylmethyl)anilino]quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-[4-(2-pyridylmethyl)anilino]quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C27H25N5O MolecularWeight: 435.5203

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)CC5=CC=CC=N5)O

Isomeric SMILES

C1CC(CNC1)(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)CC5=CC=CC=N5)O

InChI

InChI=1S/C27H25N5O/c33-27(12-3-14-28-18-27)13-11-21-7-10-25-24(17-21)26(31-19-30-25)32-22-8-5-20(6-9-22)16-23-4-1-2-15-29-23/h1-2,4-10,15,17,19,28,33H,3,12,14,16,18H2,(H,30,31,32)