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

Systemtic Name: 3-[2-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]-1-methyl-piperidin-3-ol Openeye Name: 3-[2-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]-1-methyl-piperidin-3-ol CAS Name: 3-[2-[4-(3-chloro-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-1-methyl-3-piperidinol IUPAC Name: 3-[2-[4-(3-chloro-4-phenoxyanilino)quinazolin-6-yl]ethynyl]-1-methylpiperidin-3-ol Traditional Name: 3-[2-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]-1-methyl-piperidin-3-ol Formula: C28H25ClN4O2 MolecularWeight: 484.9767

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl)O

Isomeric SMILES

CN1CCCC(C1)(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl)O

InChI

InChI=1S/C28H25ClN4O2/c1-33-15-5-13-28(34,18-33)14-12-20-8-10-25-23(16-20)27(31-19-30-25)32-21-9-11-26(24(29)17-21)35-22-6-3-2-4-7-22/h2-4,6-11,16-17,19,34H,5,13,15,18H2,1H3,(H,30,31,32)