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

Systemtic Name: 5-[2-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-2-one Openeye Name: 5-[2-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-2-one CAS Name: 5-[2-[4-(3-chloro-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-2-piperidinone IUPAC Name: 5-[2-[4-(3-chloro-4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperidin-2-one Traditional Name: 5-[2-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]-2-piperidone Formula: C27H21ClN4O2 MolecularWeight: 468.93424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NCC1C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl

Isomeric SMILES

C1CC(=O)NCC1C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl

InChI

InChI=1S/C27H21ClN4O2/c28-23-15-20(10-12-25(23)34-21-4-2-1-3-5-21)32-27-22-14-18(8-11-24(22)30-17-31-27)6-7-19-9-13-26(33)29-16-19/h1-5,8,10-12,14-15,17,19H,9,13,16H2,(H,29,33)(H,30,31,32)