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

Systemtic Name: 3-[2-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-3-ol Openeye Name: 3-[2-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]pyrrolidin-3-ol CAS Name: 3-[2-[4-(3-chloro-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-3-pyrrolidinol IUPAC Name: 3-[2-[4-(3-chloro-4-phenoxyanilino)quinazolin-6-yl]ethynyl]pyrrolidin-3-ol Traditional Name: 3-[2-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]pyrrolidin-3-ol Formula: C26H21ClN4O2 MolecularWeight: 456.92354

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl)O

Isomeric SMILES

C1CNCC1(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl)O

InChI

InChI=1S/C26H21ClN4O2/c27-22-15-19(7-9-24(22)33-20-4-2-1-3-5-20)31-25-21-14-18(6-8-23(21)29-17-30-25)10-11-26(32)12-13-28-16-26/h1-9,14-15,17,28,32H,12-13,16H2,(H,29,30,31)