[(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)OC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-3-24(4-2)20(26)18(14-10-6-5-7-11-14)28-21(27)17-15-12-8-9-13-16(15)19(25)23-22-17/h5-13,18H,3-4H2,1-2H3,(H,23,25)/t18-/m0/s1