tert-butyl 4-[3-[4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]-6-methoxy-quinazolin-7-yl]oxypropyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]-6-methoxy-quinazolin-7-yl]oxypropyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxy-quinazolin-7-yl]oxypropyl]piperazine-1-carboxylate CAS Name: 4-[3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-quinazolinyl]oxy]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperazine-1-carboxylate Traditional Name: 4-[3-[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxy-quinazolin-7-yl]oxypropyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H34ClN5O6 MolecularWeight: 572.05246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)OC

InChI

InChI=1S/C28H34ClN5O6/c1-28(2,3)40-27(35)34-11-9-33(10-12-34)8-5-13-37-23-15-20-18(14-22(23)36-4)26(31-16-30-20)32-24-19(29)6-7-21-25(24)39-17-38-21/h6-7,14-16H,5,8-13,17H2,1-4H3,(H,30,31,32)