tert-butyl N-[2-[4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[4-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxy-1-piperidyl]ethyl]carbamate CAS Name: N-[2-[4-[[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethyl]carbamate Traditional Name: N-[2-[4-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypiperidino]ethyl]carbamic acid tert-butyl ester Formula: C27H33ClFN5O4 MolecularWeight: 546.033423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC

InChI

InChI=1S/C27H33ClFN5O4/c1-27(2,3)38-26(35)30-9-12-34-10-7-18(8-11-34)37-24-14-19-22(15-23(24)36-4)31-16-32-25(19)33-17-5-6-21(29)20(28)13-17/h5-6,13-16,18H,7-12H2,1-4H3,(H,30,35)(H,31,32,33)