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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-3-p-phenetyl-phthalazine-1-carboxamide Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H21N3O5/c1-2-31-18-10-8-17(9-11-18)28-25(30)20-6-4-3-5-19(20)23(27-28)24(29)26-16-7-12-21-22(15-16)33-14-13-32-21/h3-12,15H,2,13-14H2,1H3,(H,26,29)