N-(3-chloranyl-4-fluoranyl-phenyl)-7-methoxy-6-piperidin-4-yloxy-quinazolin-4-amine; ethanoyl fluoride

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-7-methoxy-6-piperidin-4-yloxy-quinazolin-4-amine; ethanoyl fluoride Openeye Name: acetyl fluoride; N-(3-chloro-4-fluoro-phenyl)-7-methoxy-6-(4-piperidyloxy)quinazolin-4-amine CAS Name: acetyl fluoride; N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(4-piperidinyloxy)-4-quinazolinamine IUPAC Name: acetyl fluoride; N-(3-chloro-4-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinazolin-4-amine Traditional Name: acetyl fluoride; (3-chloro-4-fluoro-phenyl)-[7-methoxy-6-(4-piperidyloxy)quinazolin-4-yl]amine Formula: C26H29ClF4N4O5 MolecularWeight: 588.978873

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OC4CCNCC4

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OC4CCNCC4

InChI

InChI=1S/C20H20ClFN4O2.3C2H3FO/c1-27-18-10-17-14(9-19(18)28-13-4-6-23-7-5-13)20(25-11-24-17)26-12-2-3-16(22)15(21)8-12;3*1-2(3)4/h2-3,8-11,13,23H,4-7H2,1H3,(H,24,25,26);3*1H3