2-[4-[3-[4-(1-benzofuran-4-ylamino)-6-methoxy-quinazolin-7-yl]oxy-2-oxidanyl-propyl]piperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-[3-[4-(1-benzofuran-4-ylamino)-6-methoxy-quinazolin-7-yl]oxy-2-oxidanyl-propyl]piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-[3-[4-(benzofuran-4-ylamino)-6-methoxy-quinazolin-7-yl]oxy-2-hydroxy-propyl]piperazin-1-yl]acetonitrile CAS Name: 2-[4-[3-[[4-(4-benzofuranylamino)-6-methoxy-7-quinazolinyl]oxy]-2-hydroxypropyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-[3-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-2-hydroxypropyl]piperazin-1-yl]acetonitrile Traditional Name: 2-[4-[3-[4-(benzofuran-4-ylamino)-6-methoxy-quinazolin-7-yl]oxy-2-hydroxy-propyl]piperazino]acetonitrile Formula: C26H28N6O4 MolecularWeight: 488.53832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C4C=COC4=CC=C3)OCC(CN5CCN(CC5)CC#N)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C4C=COC4=CC=C3)OCC(CN5CCN(CC5)CC#N)O

InChI

InChI=1S/C26H28N6O4/c1-34-24-13-20-22(28-17-29-26(20)30-21-3-2-4-23-19(21)5-12-35-23)14-25(24)36-16-18(33)15-32-10-8-31(7-6-27)9-11-32/h2-5,12-14,17-18,33H,7-11,15-16H2,1H3,(H,28,29,30)