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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-(cyclopentylmethoxy)-7-(2-piperazin-1-ylethoxy)quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-(cyclopentylmethoxy)-7-(2-piperazin-1-ylethoxy)quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-(cyclopentylmethoxy)-7-[2-(1-piperazinyl)ethoxy]-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-(cyclopentylmethoxy)-7-(2-piperazin-1-ylethoxy)quinazolin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-(cyclopentylmethoxy)-7-(2-piperazinoethoxy)quinazolin-4-yl]amine Formula: C26H31ClFN5O2 MolecularWeight: 500.008043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)COC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OCCN5CCNCC5

Isomeric SMILES

C1CCC(C1)COC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OCCN5CCNCC5

InChI

InChI=1S/C26H31ClFN5O2/c27-21-13-19(5-6-22(21)28)32-26-20-14-24(35-16-18-3-1-2-4-18)25(15-23(20)30-17-31-26)34-12-11-33-9-7-29-8-10-33/h5-6,13-15,17-18,29H,1-4,7-12,16H2,(H,30,31,32)