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

Systemtic Name: 3-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-phthalazine-1-carboxamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N3O4/c1-2-3-10-24-21(26)16-7-5-4-6-15(16)19(23-24)20(25)22-14-8-9-17-18(13-14)28-12-11-27-17/h4-9,13H,2-3,10-12H2,1H3,(H,22,25)