[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=C(N(C(=C3)C)C4=CC5=C(C=C4)OCCO5)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=C(N(C(=C3)C)C4=CC5=C(C=C4)OCCO5)C

InChI

InChI=1S/C27H25N3O6/c1-4-29-26(32)20-8-6-5-7-19(20)25(28-29)27(33)36-15-22(31)21-13-16(2)30(17(21)3)18-9-10-23-24(14-18)35-12-11-34-23/h5-10,13-14H,4,11-12,15H2,1-3H3