(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 3-(4-oxidanylidenecinnolin-1-yl)propanoate

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 3-(4-oxidanylidenecinnolin-1-yl)propanoate Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 3-(4-oxocinnolin-1-yl)propanoate CAS Name: 3-(4-oxo-1-cinnolinyl)propanoic acid (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl 3-(4-oxocinnolin-1-yl)propanoate Traditional Name: 3-(4-ketocinnolin-1-yl)propionic acid (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)COC(=O)CCN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)COC(=O)CCN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C23H22N4O3/c1-16-20(17(2)27(25-16)18-8-4-3-5-9-18)15-30-23(29)12-13-26-21-11-7-6-10-19(21)22(28)14-24-26/h3-11,14H,12-13,15H2,1-2H3