3-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN(C)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN(C)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N4O4/c1-22-20(26)19-15-5-3-4-6-16(15)21(27)25(23-19)13-24(2)12-14-7-8-17-18(11-14)29-10-9-28-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,26)