[(1R)-1-(2-chlorophenyl)ethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(1R)-1-(2-chlorophenyl)ethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1R)-1-(2-chlorophenyl)ethyl] 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [(1R)-1-(2-chlorophenyl)ethyl] ester IUPAC Name: [(1R)-1-(2-chlorophenyl)ethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [(1R)-1-(2-chlorophenyl)ethyl] ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C3=CC=CC=C3Cl

Isomeric SMILES

C[C@H](C1=CC=CC=C1Cl)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C21H21ClN2O3/c1-13(2)12-24-20(25)17-10-5-4-9-16(17)19(23-24)21(26)27-14(3)15-8-6-7-11-18(15)22/h4-11,13-14H,12H2,1-3H3/t14-/m1/s1