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

Systemtic Name: 4-[2-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-2-one Openeye Name: 4-[2-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]pyrrolidin-2-one CAS Name: 4-[2-[4-(3-chloro-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-2-pyrrolidinone IUPAC Name: 4-[2-[4-(3-chloro-4-phenoxyanilino)quinazolin-6-yl]ethynyl]pyrrolidin-2-one Traditional Name: 4-[2-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]-2-pyrrolidone Formula: C26H19ClN4O2 MolecularWeight: 454.90766

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1=O)C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl

Isomeric SMILES

C1C(CNC1=O)C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl

InChI

InChI=1S/C26H19ClN4O2/c27-22-14-19(9-11-24(22)33-20-4-2-1-3-5-20)31-26-21-12-17(8-10-23(21)29-16-30-26)6-7-18-13-25(32)28-15-18/h1-5,8-12,14,16,18H,13,15H2,(H,28,32)(H,29,30,31)