3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-chloranyl-2-methoxy-5-methyl-phenyl)pyrazin-2-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-chloranyl-2-methoxy-5-methyl-phenyl)pyrazin-2-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-chloro-2-methoxy-5-methyl-phenyl)pyrazin-2-one CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-chloro-2-methoxy-5-methylphenyl)pyrazin-2-one Traditional Name: 1-(4-chloro-2-methoxy-5-methyl-phenyl)-3-(piperonylamino)pyrazin-2-one Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)N2C=CN=C(C2=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)N2C=CN=C(C2=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18ClN3O4/c1-12-7-15(17(26-2)9-14(12)21)24-6-5-22-19(20(24)25)23-10-13-3-4-16-18(8-13)28-11-27-16/h3-9H,10-11H2,1-2H3,(H,22,23)