N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(\C)/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N4O4/c1-3-10-25-21(27)16-7-5-4-6-15(16)19(24-25)20(26)23-22-13(2)14-8-9-17-18(11-14)29-12-28-17/h4-9,11H,3,10,12H2,1-2H3,(H,23,26)/b22-13+