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

Systemtic Name: 4-[2-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-2-one Openeye Name: 4-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]pyrrolidin-2-one CAS Name: 4-[2-[4-(3-methoxy-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-2-pyrrolidinone IUPAC Name: 4-[2-[4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]ethynyl]pyrrolidin-2-one Traditional Name: 4-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]-2-pyrrolidone Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CC(=O)NC4)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CC(=O)NC4)OC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O3/c1-33-25-15-20(10-12-24(25)34-21-5-3-2-4-6-21)31-27-22-13-18(9-11-23(22)29-17-30-27)7-8-19-14-26(32)28-16-19/h2-6,9-13,15,17,19H,14,16H2,1H3,(H,28,32)(H,29,30,31)