[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCCO2)NC(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H19N3O6/c1-12(13-6-7-16-17(10-13)29-9-8-28-16)22-18(25)11-30-21(27)19-14-4-2-3-5-15(14)20(26)24-23-19/h2-7,10,12H,8-9,11H2,1H3,(H,22,25)(H,24,26)/t12-/m1/s1