[1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [1-oxo-1-[(2-propan-2-yl-3-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=CC=NN3C(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=CC=NN3C(C)C

InChI

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