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

Systemtic Name: 4-[2-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-4-ol Openeye Name: 4-[2-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-4-ol CAS Name: 4-[2-[4-(3-chloro-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-4-piperidinol IUPAC Name: 4-[2-[4-(3-chloro-4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperidin-4-ol Traditional Name: 4-[2-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-4-ol Formula: C27H23ClN4O2 MolecularWeight: 470.95012

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl)O

Isomeric SMILES

C1CNCCC1(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl)O

InChI

InChI=1S/C27H23ClN4O2/c28-23-17-20(7-9-25(23)34-21-4-2-1-3-5-21)32-26-22-16-19(6-8-24(22)30-18-31-26)10-11-27(33)12-14-29-15-13-27/h1-9,16-18,29,33H,12-15H2,(H,30,31,32)