iron; 5-methoxy-3-methyl-6-[[7-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-1-oxidanyl-pyrazin-2-one

Systemtic Name: iron; 5-methoxy-3-methyl-6-[[7-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-1-oxidanyl-pyrazin-2-one Openeye Name: 1-hydroxy-5-methoxy-3-methyl-6-[[7-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]pyrazin-2-one; iron CAS Name: 1-hydroxy-5-methoxy-3-methyl-6-[[7-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-2-pyrazinone; iron IUPAC Name: 1-hydroxy-5-methoxy-3-methyl-6-[[7-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]pyrazin-2-one; iron Traditional Name: 1-hydroxy-5-methoxy-3-methyl-6-[[7-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]pyrazin-2-one; iron Formula: C60H69FeN9O9 MolecularWeight: 1116.08976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N(C1=O)O)CC2=CNC3=C2C=CC=C3CC=C(C)C)OC.CC1=NC(=C(N(C1=O)O)CC2=CNC3=C2C=CC=C3CC=C(C)C)OC.CC1=NC(=C(N(C1=O)O)CC2=CNC3=C2C=CC=C3CC=C(C)C)OC.[Fe]

Isomeric SMILES

CC1=NC(=C(N(C1=O)O)CC2=CNC3=C2C=CC=C3CC=C(C)C)OC.CC1=NC(=C(N(C1=O)O)CC2=CNC3=C2C=CC=C3CC=C(C)C)OC.CC1=NC(=C(N(C1=O)O)CC2=CNC3=C2C=CC=C3CC=C(C)C)OC.[Fe]

InChI

InChI=1S/3C20H23N3O3.Fe/c3*1-12(2)8-9-14-6-5-7-16-15(11-21-18(14)16)10-17-19(26-4)22-13(3)20(24)23(17)25;/h3*5-8,11,21,25H,9-10H2,1-4H3;