N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

InChI

InChI=1S/C21H19N3O5/c1-3-8-24-21(27)14-7-5-4-6-13(14)19(23-24)20(26)22-16-10-18-17(28-11-29-18)9-15(16)12(2)25/h4-7,9-10H,3,8,11H2,1-2H3,(H,22,26)