[4-(4-azanyl-6,7-dimethoxy-quinolin-2-yl)piperazin-1-yl]-(3-iodanylfuran-2-yl)methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinolin-2-yl)piperazin-1-yl]-(3-iodanylfuran-2-yl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-2-quinolyl)piperazin-1-yl]-(3-iodanyl-2-furyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinolinyl)-1-piperazinyl]-(3-iodanyl-2-furanyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(3-iodanylfuran-2-yl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-2-quinolyl)piperazino]-(3-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=C(C=CO4)I)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CC(=N2)N3CCN(CC3)C(=O)C4=C(C=CO4)[125I])N)OC

InChI

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