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

Systemtic Name: 4-[2-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-2-one Openeye Name: 4-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]pyrrolidin-2-one CAS Name: 4-[2-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-2-pyrrolidinone IUPAC Name: 4-[2-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]ethynyl]pyrrolidin-2-one Traditional Name: 4-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]-2-pyrrolidone Formula: C27H22N4O2 MolecularWeight: 434.48918

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#CC4CC(=O)NC4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CC(=O)NC4)OC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O2/c1-18-13-21(10-12-25(18)33-22-5-3-2-4-6-22)31-27-23-14-19(9-11-24(23)29-17-30-27)7-8-20-15-26(32)28-16-20/h2-6,9-14,17,20H,15-16H2,1H3,(H,28,32)(H,29,30,31)