1-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]imidazol-2-one

Systemtic Name: 1-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]imidazol-2-one Openeye Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]imidazol-2-one CAS Name: 1-[4-(3-ethynylanilino)-6-quinazolinyl]-3-[(3-fluorophenyl)methyl]-2-imidazolone IUPAC Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]imidazol-2-one Traditional Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(3-fluorobenzyl)-4-imidazolin-2-one Formula: C26H18FN5O MolecularWeight: 435.452423

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)N4C=CN(C4=O)CC5=CC(=CC=C5)F

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)N4C=CN(C4=O)CC5=CC(=CC=C5)F

InChI

InChI=1S/C26H18FN5O/c1-2-18-5-4-8-21(14-18)30-25-23-15-22(9-10-24(23)28-17-29-25)32-12-11-31(26(32)33)16-19-6-3-7-20(27)13-19/h1,3-15,17H,16H2,(H,28,29,30)