3-[(5-iodanylisoquinolin-1-yl)oxymethyl]-5-methoxy-1,2-dimethyl-indole-4,7-dione

Systemtic Name: 3-[(5-iodanylisoquinolin-1-yl)oxymethyl]-5-methoxy-1,2-dimethyl-indole-4,7-dione Openeye Name: 3-[(5-iodo-1-isoquinolyl)oxymethyl]-5-methoxy-1,2-dimethyl-indole-4,7-dione CAS Name: 3-[(5-iodo-1-isoquinolinyl)oxymethyl]-5-methoxy-1,2-dimethylindole-4,7-dione IUPAC Name: 3-[(5-iodoisoquinolin-1-yl)oxymethyl]-5-methoxy-1,2-dimethylindole-4,7-dione Traditional Name: 3-[(5-iodo-1-isoquinolyl)oxymethyl]-5-methoxy-1,2-dimethyl-indole-4,7-quinone Formula: C21H17IN2O4 MolecularWeight: 488.27515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C(=O)C=C(C2=O)OC)COC3=NC=CC4=C3C=CC=C4I

Isomeric SMILES

CC1=C(C2=C(N1C)C(=O)C=C(C2=O)OC)COC3=NC=CC4=C3C=CC=C4I

InChI

InChI=1S/C21H17IN2O4/c1-11-14(18-19(24(11)2)16(25)9-17(27-3)20(18)26)10-28-21-13-5-4-6-15(22)12(13)7-8-23-21/h4-9H,10H2,1-3H3