N-[2,3-bis(fluoranyl)phenyl]-2-[3-[[7-ethoxy-5-[2-[[(2R)-1-methoxy-3-oxidanyl-propan-2-yl]amino]ethoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]ethanamide

Systemtic Name: N-[2,3-bis(fluoranyl)phenyl]-2-[3-[[7-ethoxy-5-[2-[[(2R)-1-methoxy-3-oxidanyl-propan-2-yl]amino]ethoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]ethanamide Openeye Name: N-(2,3-difluorophenyl)-2-[3-[[7-ethoxy-5-[2-[[(1R)-1-(hydroxymethyl)-2-methoxy-ethyl]amino]ethoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]acetamide CAS Name: N-(2,3-difluorophenyl)-2-[3-[[7-ethoxy-5-[2-[[(2R)-1-hydroxy-3-methoxypropan-2-yl]amino]ethoxy]-4-quinazolinyl]amino]-1H-pyrazol-5-yl]acetamide IUPAC Name: N-(2,3-difluorophenyl)-2-[3-[[7-ethoxy-5-[2-[[(2R)-1-hydroxy-3-methoxypropan-2-yl]amino]ethoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]acetamide Traditional Name: N-(2,3-difluorophenyl)-2-[3-[[7-ethoxy-5-[2-[[(1R)-2-hydroxy-1-(methoxymethyl)ethyl]amino]ethoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]acetamide Formula: C27H31F2N7O5 MolecularWeight: 571.575746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C2C(=C1)N=CN=C2NC3=NNC(=C3)CC(=O)NC4=C(C(=CC=C4)F)F)OCCNC(CO)COC

Isomeric SMILES

CCOC1=CC(=C2C(=C1)N=CN=C2NC3=NNC(=C3)CC(=O)NC4=C(C(=CC=C4)F)F)OCCN[C@H](CO)COC

InChI

InChI=1S/C27H31F2N7O5/c1-3-40-18-11-21-25(22(12-18)41-8-7-30-17(13-37)14-39-2)27(32-15-31-21)34-23-9-16(35-36-23)10-24(38)33-20-6-4-5-19(28)26(20)29/h4-6,9,11-12,15,17,30,37H,3,7-8,10,13-14H2,1-2H3,(H,33,38)(H2,31,32,34,35,36)/t17-/m1/s1