5-[[4-[2-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(cyclopropylmethoxy)quinazolin-7-yl]oxyethyl]piperazin-1-yl]methyl]oxolan-2-one

Systemtic Name: 5-[[4-[2-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(cyclopropylmethoxy)quinazolin-7-yl]oxyethyl]piperazin-1-yl]methyl]oxolan-2-one Openeye Name: 5-[[4-[2-[4-(3-chloro-4-fluoro-anilino)-6-(cyclopropylmethoxy)quinazolin-7-yl]oxyethyl]piperazin-1-yl]methyl]tetrahydrofuran-2-one CAS Name: 5-[[4-[2-[[4-(3-chloro-4-fluoroanilino)-6-(cyclopropylmethoxy)-7-quinazolinyl]oxy]ethyl]-1-piperazinyl]methyl]-2-oxolanone IUPAC Name: 5-[[4-[2-[4-(3-chloro-4-fluoroanilino)-6-(cyclopropylmethoxy)quinazolin-7-yl]oxyethyl]piperazin-1-yl]methyl]oxolan-2-one Traditional Name: 5-[[4-[2-[4-(3-chloro-4-fluoro-anilino)-6-(cyclopropylmethoxy)quinazolin-7-yl]oxyethyl]piperazino]methyl]tetrahydrofuran-2-one Formula: C29H33ClFN5O4 MolecularWeight: 570.054823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OCCN5CCN(CC5)CC6CCC(=O)O6

Isomeric SMILES

C1CC1COC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OCCN5CCN(CC5)CC6CCC(=O)O6

InChI

InChI=1S/C29H33ClFN5O4/c30-23-13-20(3-5-24(23)31)34-29-22-14-26(39-17-19-1-2-19)27(15-25(22)32-18-33-29)38-12-11-35-7-9-36(10-8-35)16-21-4-6-28(37)40-21/h3,5,13-15,18-19,21H,1-2,4,6-12,16-17H2,(H,32,33,34)