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

Systemtic Name: 5-[2-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperazin-2-one Openeye Name: 5-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperazin-2-one CAS Name: 5-[2-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-2-piperazinone IUPAC Name: 5-[2-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperazin-2-one Traditional Name: 5-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperazin-2-one Formula: C27H23N5O2 MolecularWeight: 449.50382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CNC(=O)CN4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CNC(=O)CN4)OC5=CC=CC=C5

InChI

InChI=1S/C27H23N5O2/c1-18-13-20(10-12-25(18)34-22-5-3-2-4-6-22)32-27-23-14-19(8-11-24(23)30-17-31-27)7-9-21-15-29-26(33)16-28-21/h2-6,8,10-14,17,21,28H,15-16H2,1H3,(H,29,33)(H,30,31,32)