1-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyrazinone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(homoveratrylamino)pyrazin-2-one Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=CN(C2=O)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=CN(C2=O)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H21N3O5/c1-26-16-5-3-14(11-18(16)27-2)7-8-22-20-21(25)24(10-9-23-20)15-4-6-17-19(12-15)29-13-28-17/h3-6,9-12H,7-8,13H2,1-2H3,(H,22,23)