[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl ester IUPAC Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [4-(3,5-dimethylpyrazol-1-yl)benzyl] ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)CC3=NNC(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)CC3=NNC(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H20N4O3/c1-14-11-15(2)26(25-14)17-9-7-16(8-10-17)13-29-21(27)12-20-18-5-3-4-6-19(18)22(28)24-23-20/h3-11H,12-13H2,1-2H3,(H,24,28)