(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C24H21N5O3 MolecularWeight: 427.45524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C24H21N5O3/c1-15(2)28-23(30)19-12-8-7-11-18(19)22(27-28)24(31)32-14-21-20(13-25)16(3)26-29(21)17-9-5-4-6-10-17/h4-12,15H,14H2,1-3H3