N-[3,5-bis(fluoranyl)phenyl]-2-[3-[[7-[3-[(2,2-dimethyl-3-oxidanyl-propyl)amino]propoxy]-6-methoxy-quinazolin-4-yl]amino]-1H-pyrazol-5-yl]ethanamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-2-[3-[[7-[3-[(2,2-dimethyl-3-oxidanyl-propyl)amino]propoxy]-6-methoxy-quinazolin-4-yl]amino]-1H-pyrazol-5-yl]ethanamide Openeye Name: N-(3,5-difluorophenyl)-2-[3-[[7-[3-[(3-hydroxy-2,2-dimethyl-propyl)amino]propoxy]-6-methoxy-quinazolin-4-yl]amino]-1H-pyrazol-5-yl]acetamide CAS Name: N-(3,5-difluorophenyl)-2-[3-[[7-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]propoxy]-6-methoxy-4-quinazolinyl]amino]-1H-pyrazol-5-yl]acetamide IUPAC Name: N-(3,5-difluorophenyl)-2-[3-[[7-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]-1H-pyrazol-5-yl]acetamide Traditional Name: N-(3,5-difluorophenyl)-2-[3-[[7-[3-[(3-hydroxy-2,2-dimethyl-propyl)amino]propoxy]-6-methoxy-quinazolin-4-yl]amino]-1H-pyrazol-5-yl]acetamide Formula: C28H33F2N7O4 MolecularWeight: 569.602926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNCCCOC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3)CC(=O)NC4=CC(=CC(=C4)F)F)OC)CO

Isomeric SMILES

CC(C)(CNCCCOC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3)CC(=O)NC4=CC(=CC(=C4)F)F)OC)CO

InChI

InChI=1S/C28H33F2N7O4/c1-28(2,15-38)14-31-5-4-6-41-24-13-22-21(12-23(24)40-3)27(33-16-32-22)35-25-10-20(36-37-25)11-26(39)34-19-8-17(29)7-18(30)9-19/h7-10,12-13,16,31,38H,4-6,11,14-15H2,1-3H3,(H,34,39)(H2,32,33,35,36,37)