N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H19N3O4/c1-2-9-23-20(25)15-6-4-3-5-14(15)18(22-23)19(24)21-13-7-8-16-17(12-13)27-11-10-26-16/h3-8,12H,2,9-11H2,1H3,(H,21,24)