[(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1S)-1,7-dimethyl-3-oxo-indan-4-yl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] ester IUPAC Name: [(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [(1S)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

C[C@H]1CC(=O)C2=C(C=CC(=C12)C)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H18N2O4/c1-11-8-9-16(18-15(24)10-12(2)17(11)18)27-21(26)19-13-6-4-5-7-14(13)20(25)23(3)22-19/h4-9,12H,10H2,1-3H3/t12-/m0/s1