[4-(4-azanyl-5-iodanyl-6,7-dimethoxy-quinolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-yl-methanone

Systemtic Name: [4-(4-azanyl-5-iodanyl-6,7-dimethoxy-quinolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-yl-methanone Openeye Name: [4-(4-amino-5-iodo-6,7-dimethoxy-2-quinolyl)-1,4-diazepan-1-yl]-morpholino-methanone CAS Name: [4-(4-amino-5-iodo-6,7-dimethoxy-2-quinolinyl)-1,4-diazepan-1-yl]-(4-morpholinyl)methanone IUPAC Name: [4-(4-amino-5-iodo-6,7-dimethoxyquinolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone Traditional Name: [4-(4-amino-5-iodo-6,7-dimethoxy-2-quinolyl)-1,4-diazepan-1-yl]-morpholino-methanone Formula: C21H28IN5O4 MolecularWeight: 541.38259

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=CC(=NC2=C1)N3CCCN(CC3)C(=O)N4CCOCC4)N)I)OC

Isomeric SMILES

COC1=C(C(=C2C(=CC(=NC2=C1)N3CCCN(CC3)C(=O)N4CCOCC4)N)I)OC

InChI

InChI=1S/C21H28IN5O4/c1-29-16-13-15-18(19(22)20(16)30-2)14(23)12-17(24-15)25-4-3-5-26(7-6-25)21(28)27-8-10-31-11-9-27/h12-13H,3-11H2,1-2H3,(H2,23,24)