5-[2-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperazin-2-one

Systemtic Name: 5-[2-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperazin-2-one Openeye Name: 5-[2-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperazin-2-one CAS Name: 5-[2-[4-(3-chloro-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-2-piperazinone IUPAC Name: 5-[2-[4-(3-chloro-4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperazin-2-one Traditional Name: 5-[2-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperazin-2-one Formula: C26H20ClN5O2 MolecularWeight: 469.9223

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC(=O)N1)C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl

Isomeric SMILES

C1C(NCC(=O)N1)C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl

InChI

InChI=1S/C26H20ClN5O2/c27-22-13-18(9-11-24(22)34-20-4-2-1-3-5-20)32-26-21-12-17(7-10-23(21)30-16-31-26)6-8-19-14-29-25(33)15-28-19/h1-5,7,9-13,16,19,28H,14-15H2,(H,29,33)(H,30,31,32)