2-[[ethyl-(8-nitroisoquinolin-5-yl)amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[ethyl-(8-nitroisoquinolin-5-yl)amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[ethyl-(8-nitro-5-isoquinolyl)amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[ethyl-(8-nitro-5-isoquinolinyl)amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[ethyl-(8-nitroisoquinolin-5-yl)amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[ethyl-(8-nitro-5-isoquinolyl)amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C22H21N5O5 MolecularWeight: 435.43264

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O5/c1-4-26(17-5-6-18(27(29)30)15-11-23-8-7-13(15)17)12-21-24-16-10-20(32-3)19(31-2)9-14(16)22(28)25-21/h5-11H,4,12H2,1-3H3,(H,24,25,28)