N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-keto-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C23H17N3O5 MolecularWeight: 415.39818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H17N3O5/c1-29-16-9-7-15(8-10-16)26-23(28)18-5-3-2-4-17(18)21(25-26)22(27)24-14-6-11-19-20(12-14)31-13-30-19/h2-12H,13H2,1H3,(H,24,27)