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

Systemtic Name: 3-[2-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol dihydrochloride Openeye Name: 3-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-3-ol dihydrochloride CAS Name: 3-[2-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-3-piperidinol dihydrochloride IUPAC Name: 3-[2-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol dihydrochloride Traditional Name: 3-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-3-ol dihydrochloride Formula: C28H28Cl2N4O2 MolecularWeight: 523.45352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)OC5=CC=CC=C5.Cl.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)OC5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C28H26N4O2.2ClH/c1-20-16-22(9-11-26(20)34-23-6-3-2-4-7-23)32-27-24-17-21(8-10-25(24)30-19-31-27)12-14-28(33)13-5-15-29-18-28;;/h2-4,6-11,16-17,19,29,33H,5,13,15,18H2,1H3,(H,30,31,32);2*1H