3-(1,3-benzodioxol-5-ylmethylamino)-5-chloranyl-6-(3,4-dimethoxyphenyl)-1-phenyl-pyrazin-2-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylamino)-5-chloranyl-6-(3,4-dimethoxyphenyl)-1-phenyl-pyrazin-2-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethylamino)-5-chloro-6-(3,4-dimethoxyphenyl)-1-phenyl-pyrazin-2-one CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-5-chloro-6-(3,4-dimethoxyphenyl)-1-phenyl-2-pyrazinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)-5-chloro-6-(3,4-dimethoxyphenyl)-1-phenylpyrazin-2-one Traditional Name: 5-chloro-6-(3,4-dimethoxyphenyl)-1-phenyl-3-(piperonylamino)pyrazin-2-one Formula: C26H22ClN3O5 MolecularWeight: 491.92298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N=C(C(=O)N2C3=CC=CC=C3)NCC4=CC5=C(C=C4)OCO5)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N=C(C(=O)N2C3=CC=CC=C3)NCC4=CC5=C(C=C4)OCO5)Cl)OC

InChI

InChI=1S/C26H22ClN3O5/c1-32-19-11-9-17(13-21(19)33-2)23-24(27)29-25(26(31)30(23)18-6-4-3-5-7-18)28-14-16-8-10-20-22(12-16)35-15-34-20/h3-13H,14-15H2,1-2H3,(H,28,29)