N-(3-chloranyl-4-fluoranyl-phenyl)-6-(oxan-4-yloxy)-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-(oxan-4-yloxy)-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-7-(3-piperazin-1-ylpropoxy)-6-tetrahydropyran-4-yloxy-quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-(4-oxanyloxy)-7-[3-(1-piperazinyl)propoxy]-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-(oxan-4-yloxy)-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[7-(3-piperazinopropoxy)-6-tetrahydropyran-4-yloxy-quinazolin-4-yl]amine Formula: C26H31ClFN5O3 MolecularWeight: 516.007443

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1OC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OCCCN5CCNCC5

Isomeric SMILES

C1COCCC1OC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OCCCN5CCNCC5

InChI

InChI=1S/C26H31ClFN5O3/c27-21-14-18(2-3-22(21)28)32-26-20-15-25(36-19-4-12-34-13-5-19)24(16-23(20)30-17-31-26)35-11-1-8-33-9-6-29-7-10-33/h2-3,14-17,19,29H,1,4-13H2,(H,30,31,32)