[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H21N3O4/c1-14(20(26)25-12-11-15-7-3-4-8-16(15)13-25)29-22(28)19-17-9-5-6-10-18(17)21(27)24(2)23-19/h3-10,14H,11-13H2,1-2H3/t14-/m1/s1