N-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-3-(4-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-4-keto-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C25H20N4O6 MolecularWeight: 472.4495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N4O6/c1-33-17-9-7-16(8-10-17)29-25(32)19-5-3-2-4-18(19)23(28-29)24(31)26-13-22(30)27-15-6-11-20-21(12-15)35-14-34-20/h2-12H,13-14H2,1H3,(H,26,31)(H,27,30)