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

Systemtic Name: [(1R)-1-phenylethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1R)-1-phenylethyl] 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [(1R)-1-phenylethyl] ester IUPAC Name: [(1R)-1-phenylethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [(1R)-1-phenylethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-14(2)13-23-20(24)18-12-8-7-11-17(18)19(22-23)21(25)26-15(3)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3/t15-/m1/s1