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

Systemtic Name: tert-butyl 4-[3-[4-(1,3-benzodioxol-4-ylamino)-6-methoxy-quinazolin-7-yl]oxypropyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[4-(1,3-benzodioxol-4-ylamino)-6-methoxy-quinazolin-7-yl]oxypropyl]piperazine-1-carboxylate CAS Name: 4-[3-[[4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-quinazolinyl]oxy]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]piperazine-1-carboxylate Traditional Name: 4-[3-[4-(1,3-benzodioxol-4-ylamino)-6-methoxy-quinazolin-7-yl]oxypropyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H35N5O6 MolecularWeight: 537.6074

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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=C5C(=CC=C4)OCO5)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=C5C(=CC=C4)OCO5)OC

InChI

InChI=1S/C28H35N5O6/c1-28(2,3)39-27(34)33-12-10-32(11-13-33)9-6-14-36-24-16-21-19(15-23(24)35-4)26(30-17-29-21)31-20-7-5-8-22-25(20)38-18-37-22/h5,7-8,15-17H,6,9-14,18H2,1-4H3,(H,29,30,31)