4-[3-[4-[[5-chloranyl-7-(4-methoxybut-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl]-1-methyl-piperazin-2-one

Systemtic Name: 4-[3-[4-[[5-chloranyl-7-(4-methoxybut-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl]-1-methyl-piperazin-2-one Openeye Name: 4-[3-[4-[[5-chloro-7-(4-methoxybut-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl]-1-methyl-piperazin-2-one CAS Name: 4-[3-[[4-[[5-chloro-7-(4-methoxybut-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6-methoxy-7-quinazolinyl]oxy]propyl]-1-methyl-2-piperazinone IUPAC Name: 4-[3-[4-[[5-chloro-7-(4-methoxybut-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]-1-methylpiperazin-2-one Traditional Name: 4-[3-[4-[[5-chloro-7-(4-methoxybut-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl]-1-methyl-piperazin-2-one Formula: C29H32ClN5O6 MolecularWeight: 582.04728

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1=O)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C5=C4OCO5)C#CCCOC)Cl)OC

Isomeric SMILES

CN1CCN(CC1=O)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C5=C4OCO5)C#CCCOC)Cl)OC

InChI

InChI=1S/C29H32ClN5O6/c1-34-9-10-35(16-25(34)36)8-6-12-39-24-15-22-20(14-23(24)38-3)29(32-17-31-22)33-26-21(30)13-19(7-4-5-11-37-2)27-28(26)41-18-40-27/h13-15,17H,5-6,8-12,16,18H2,1-3H3,(H,31,32,33)