3-[2-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-7-yl]ethynyl]piperidin-3-ol

Systemtic Name: 3-[2-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-7-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-(3-chloro-4-phenoxy-anilino)quinazolin-7-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-(3-chloro-4-phenoxyanilino)-7-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-(3-chloro-4-phenoxyanilino)quinazolin-7-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-(3-chloro-4-phenoxy-anilino)quinazolin-7-yl]ethynyl]piperidin-3-ol Formula: C27H23ClN4O2 MolecularWeight: 470.95012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)(C#CC2=CC3=C(C=C2)C(=NC=N3)NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl)O

Isomeric SMILES

C1CC(CNC1)(C#CC2=CC3=C(C=C2)C(=NC=N3)NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl)O

InChI

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