[4-(4-azanyl-6,7-dimethoxy-quinolin-2-yl)piperazin-1-yl]-(5-iodanylfuran-2-yl)methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinolin-2-yl)piperazin-1-yl]-(5-iodanylfuran-2-yl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-2-quinolyl)piperazin-1-yl]-(5-iodanyl-2-furyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinolinyl)-1-piperazinyl]-(5-iodanyl-2-furanyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(5-iodanylfuran-2-yl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-2-quinolyl)piperazino]-(5-iodanyl-2-furyl)methanone Formula: C20H21IN4O4 MolecularWeight: 506.309764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CC(=N2)N3CCN(CC3)C(=O)C4=CC=C(O4)I)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CC(=N2)N3CCN(CC3)C(=O)C4=CC=C(O4)[125I])N)OC

InChI

InChI=1S/C20H21IN4O4/c1-27-16-9-12-13(22)10-19(23-14(12)11-17(16)28-2)24-5-7-25(8-6-24)20(26)15-3-4-18(21)29-15/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23)/i21-2