N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxy-6-piperidin-4-yloxy-quinazolin-4-amine dihydrochloride

Systemtic Name: N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxy-6-piperidin-4-yloxy-quinazolin-4-amine dihydrochloride Openeye Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxy-6-(4-piperidyloxy)quinazolin-4-amine dihydrochloride CAS Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxy-6-(4-piperidinyloxy)-4-quinazolinamine dihydrochloride IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxy-6-piperidin-4-yloxyquinazolin-4-amine dihydrochloride Traditional Name: [3-chloro-4-(3-fluorobenzyl)oxy-phenyl]-[7-methoxy-6-(4-piperidyloxy)quinazolin-4-yl]amine dihydrochloride Formula: C27H28Cl3FN4O3 MolecularWeight: 581.893623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)OC5CCNCC5.Cl.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)OC5CCNCC5.Cl.Cl

InChI

InChI=1S/C27H26ClFN4O3.2ClH/c1-34-25-14-23-21(13-26(25)36-20-7-9-30-10-8-20)27(32-16-31-23)33-19-5-6-24(22(28)12-19)35-15-17-3-2-4-18(29)11-17;;/h2-6,11-14,16,20,30H,7-10,15H2,1H3,(H,31,32,33);2*1H