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

Systemtic Name: [2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H17N5O4/c1-9-14(10(2)22(3)21-9)18-13(23)8-26-17(25)15-11-6-4-5-7-12(11)16(24)20-19-15/h4-7H,8H2,1-3H3,(H,18,23)(H,20,24)