[(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1R)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [(1R)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C21H21N3O4/c1-4-24-20(26)17-8-6-5-7-16(17)18(23-24)21(27)28-14(3)19(25)22-15-11-9-13(2)10-12-15/h5-12,14H,4H2,1-3H3,(H,22,25)/t14-/m1/s1