N-(3-chloranyl-4-fluoranyl-phenyl)-6-cyclopentyloxy-7-(2-piperazin-1-ylethoxy)quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-cyclopentyloxy-7-(2-piperazin-1-ylethoxy)quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-(cyclopentoxy)-7-(2-piperazin-1-ylethoxy)quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-cyclopentyloxy-7-[2-(1-piperazinyl)ethoxy]-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-cyclopentyloxy-7-(2-piperazin-1-ylethoxy)quinazolin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-(cyclopentoxy)-7-(2-piperazinoethoxy)quinazolin-4-yl]amine Formula: C25H29ClFN5O2 MolecularWeight: 485.981463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OCCN5CCNCC5

Isomeric SMILES

C1CCC(C1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OCCN5CCNCC5

InChI

InChI=1S/C25H29ClFN5O2/c26-20-13-17(5-6-21(20)27)31-25-19-14-24(34-18-3-1-2-4-18)23(15-22(19)29-16-30-25)33-12-11-32-9-7-28-8-10-32/h5-6,13-16,18,28H,1-4,7-12H2,(H,29,30,31)