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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-7-methoxy-6-(3-piperazin-1-ylpropoxy)quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-7-methoxy-6-(3-piperazin-1-ylpropoxy)quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(1-piperazinyl)propoxy]-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-piperazin-1-ylpropoxy)quinazolin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[7-methoxy-6-(3-piperazinopropoxy)quinazolin-4-yl]amine Formula: C22H25ClFN5O2 MolecularWeight: 445.917603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCNCC4

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCNCC4

InChI

InChI=1S/C22H25ClFN5O2/c1-30-20-13-19-16(12-21(20)31-10-2-7-29-8-5-25-6-9-29)22(27-14-26-19)28-15-3-4-18(24)17(23)11-15/h3-4,11-14,25H,2,5-10H2,1H3,(H,26,27,28)