(4-pyrazol-1-ylphenyl)methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H20N4O3 MolecularWeight: 388.4192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

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