[4-[(2S)-butan-2-yl]phenyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [4-[(2S)-butan-2-yl]phenyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [4-[(1S)-1-methylpropyl]phenyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [4-[(2S)-butan-2-yl]phenyl] ester IUPAC Name: [4-[(2S)-butan-2-yl]phenyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [4-[(1S)-1-methylpropyl]phenyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C20H20N2O3/c1-4-13(2)14-9-11-15(12-10-14)25-20(24)18-16-7-5-6-8-17(16)19(23)22(3)21-18/h5-13H,4H2,1-3H3/t13-/m0/s1