N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl]-3-(3,4-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl]-3-(3,4-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxo-ethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-keto-ethyl]-3-(3,4-dimethoxyphenyl)-4-keto-phthalazine-1-carboxamide Formula: C28H26N4O7 MolecularWeight: 530.52864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC4COC5=CC=CC=C5O4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC4COC5=CC=CC=C5O4)OC

InChI

InChI=1S/C28H26N4O7/c1-36-21-12-11-17(13-24(21)37-2)32-28(35)20-8-4-3-7-19(20)26(31-32)27(34)30-15-25(33)29-14-18-16-38-22-9-5-6-10-23(22)39-18/h3-13,18H,14-16H2,1-2H3,(H,29,33)(H,30,34)