3-[(5-bromanyl-1-oxidanylidene-isoquinolin-2-yl)methyl]-5-methoxy-1,2-dimethyl-indole-4,7-dione

Systemtic Name: 3-[(5-bromanyl-1-oxidanylidene-isoquinolin-2-yl)methyl]-5-methoxy-1,2-dimethyl-indole-4,7-dione Openeye Name: 3-[(5-bromo-1-oxo-2-isoquinolyl)methyl]-5-methoxy-1,2-dimethyl-indole-4,7-dione CAS Name: 3-[(5-bromo-1-oxo-2-isoquinolinyl)methyl]-5-methoxy-1,2-dimethylindole-4,7-dione IUPAC Name: 3-[(5-bromo-1-oxoisoquinolin-2-yl)methyl]-5-methoxy-1,2-dimethylindole-4,7-dione Traditional Name: 3-[(5-bromo-1-keto-2-isoquinolyl)methyl]-5-methoxy-1,2-dimethyl-indole-4,7-quinone Formula: C21H17BrN2O4 MolecularWeight: 441.27468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C(=O)C=C(C2=O)OC)CN3C=CC4=C(C3=O)C=CC=C4Br

Isomeric SMILES

CC1=C(C2=C(N1C)C(=O)C=C(C2=O)OC)CN3C=CC4=C(C3=O)C=CC=C4Br

InChI

InChI=1S/C21H17BrN2O4/c1-11-14(18-19(23(11)2)16(25)9-17(28-3)20(18)26)10-24-8-7-12-13(21(24)27)5-4-6-15(12)22/h4-9H,10H2,1-3H3