[2-[2,5-dimethyl-1-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]pyrrol-3-yl]-2-oxidanylidene-ethyl] propanoate

Systemtic Name: [2-[2,5-dimethyl-1-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]pyrrol-3-yl]-2-oxidanylidene-ethyl] propanoate Openeye Name: [2-[2,5-dimethyl-1-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]pyrrol-3-yl]-2-oxo-ethyl] propanoate CAS Name: propanoic acid [2-[2,5-dimethyl-1-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]pyrrol-3-yl]-2-oxoethyl] propanoate Traditional Name: propionic acid [2-keto-2-[1-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC(=O)C1=C(N(C(=C1)C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C

Isomeric SMILES

CCC(=O)OCC(=O)C1=C(N(C(=C1)C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C

InChI

InChI=1S/C21H22N4O5/c1-5-18(27)30-11-17(26)16-10-12(2)25(13(16)3)23-20(28)19-14-8-6-7-9-15(14)21(29)24(4)22-19/h6-10H,5,11H2,1-4H3,(H,23,28)