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

Systemtic Name: 6-[2-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperazin-2-one Openeye Name: 6-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperazin-2-one CAS Name: 6-[2-[4-(3-methoxy-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-2-piperazinone IUPAC Name: 6-[2-[4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperazin-2-one Traditional Name: 6-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperazin-2-one Formula: C27H23N5O3 MolecularWeight: 465.50322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CNCC(=O)N4)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CNCC(=O)N4)OC5=CC=CC=C5

InChI

InChI=1S/C27H23N5O3/c1-34-25-14-19(10-12-24(25)35-21-5-3-2-4-6-21)32-27-22-13-18(8-11-23(22)29-17-30-27)7-9-20-15-28-16-26(33)31-20/h2-6,8,10-14,17,20,28H,15-16H2,1H3,(H,31,33)(H,29,30,32)