tert-butyl 4-[4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]-7-fluoranyl-quinazolin-5-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]-7-fluoranyl-quinazolin-5-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-7-fluoro-quinazolin-5-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-7-fluoro-5-quinazolinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-7-fluoroquinazolin-5-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-7-fluoro-quinazolin-5-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C25H26ClFN4O5 MolecularWeight: 516.949143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=C3C(=CC(=C2)F)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=C3C(=CC(=C2)F)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl

InChI

InChI=1S/C25H26ClFN4O5/c1-25(2,3)36-24(32)31-8-6-15(7-9-31)35-19-11-14(27)10-17-20(19)23(29-12-28-17)30-21-16(26)4-5-18-22(21)34-13-33-18/h4-5,10-12,15H,6-9,13H2,1-3H3,(H,28,29,30)