3-[(3,4-dimethoxyphenyl)methyl]-5-phenacylidene-pyrazine-2,6-dione

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-5-phenacylidene-pyrazine-2,6-dione Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-5-phenacylidene-pyrazine-2,6-dione CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-5-phenacylidenepyrazine-2,6-dione IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-5-phenacylidenepyrazine-2,6-dione Traditional Name: 3-phenacylidene-5-veratryl-pyrazine-2,6-quinone Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC(=CC(=O)C3=CC=CC=C3)C(=O)NC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC(=CC(=O)C3=CC=CC=C3)C(=O)NC2=O)OC

InChI

InChI=1S/C21H18N2O5/c1-27-18-9-8-13(11-19(18)28-2)10-15-20(25)23-21(26)16(22-15)12-17(24)14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3,(H,23,25,26)