[4-(4-azanyl-6,7-dimethoxy-quinolin-2-yl)piperazin-1-yl]-(5-iodanylpyridin-3-yl)methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinolin-2-yl)piperazin-1-yl]-(5-iodanylpyridin-3-yl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-2-quinolyl)piperazin-1-yl]-(5-iodo-3-pyridyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinolinyl)-1-piperazinyl]-(5-iodo-3-pyridinyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(5-iodopyridin-3-yl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-2-quinolyl)piperazino]-(5-iodo-3-pyridyl)methanone Formula: C21H22IN5O3 MolecularWeight: 519.33555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22IN5O3/c1-29-18-8-15-16(23)9-20(25-17(15)10-19(18)30-2)26-3-5-27(6-4-26)21(28)13-7-14(22)12-24-11-13/h7-12H,3-6H2,1-2H3,(H2,23,25)