5-bromanyl-8-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]oxy-quinoline

Systemtic Name: 5-bromanyl-8-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]oxy-quinoline Openeye Name: 5-bromo-8-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]oxy-quinoline CAS Name: 5-bromo-8-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinyl]oxy]quinoline IUPAC Name: 5-bromo-8-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-yl]oxyquinoline Traditional Name: 5-bromo-8-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]oxy-quinoline Formula: C22H16BrN5O3 MolecularWeight: 478.29814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C22H16BrN5O3/c23-17-7-8-18(19-16(17)6-3-10-24-19)31-22-20(28(29)30)21(25-13-26-22)27-11-9-14-4-1-2-5-15(14)12-27/h1-8,10,13H,9,11-12H2