[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[(2,5-dimethyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C16H15N5O4/c1-9-7-12(21(2)20-9)17-13(22)8-25-16(24)14-10-5-3-4-6-11(10)15(23)19-18-14/h3-7H,8H2,1-2H3,(H,17,22)(H,19,23)