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

Systemtic Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-[(2,5-dimethyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=NN3C)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=NN3C)C

InChI

InChI=1S/C21H25N5O4/c1-4-5-8-11-26-20(28)16-10-7-6-9-15(16)19(24-26)21(29)30-13-18(27)22-17-12-14(2)23-25(17)3/h6-7,9-10,12H,4-5,8,11,13H2,1-3H3,(H,22,27)