3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-(piperonylamino)ethyl]-N-methyl-phthalazine-1-carboxamide Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N4O5/c1-21-19(26)18-13-4-2-3-5-14(13)20(27)24(23-18)10-17(25)22-9-12-6-7-15-16(8-12)29-11-28-15/h2-8H,9-11H2,1H3,(H,21,26)(H,22,25)