N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: 3-isopropyl-N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methyleneamino]phthalazine-1-carboxamide Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC4=C(C(=C3)OC)OCO4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CC4=C(C(=C3)OC)OCO4

InChI

InChI=1S/C21H20N4O5/c1-12(2)25-21(27)15-7-5-4-6-14(15)18(24-25)20(26)23-22-10-13-8-16(28-3)19-17(9-13)29-11-30-19/h4-10,12H,11H2,1-3H3,(H,23,26)/b22-10-