(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (2-keto-1-phenyl-2-pyrrolidino-ethyl) ester Formula: C28H25N3O4 MolecularWeight: 467.5158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H25N3O4/c32-26-23-16-8-7-15-22(23)24(29-31(26)19-20-11-3-1-4-12-20)28(34)35-25(21-13-5-2-6-14-21)27(33)30-17-9-10-18-30/h1-8,11-16,25H,9-10,17-19H2