2-(4-cyanophenoxy)ethyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: 2-(4-cyanophenoxy)ethyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid 2-(4-cyanophenoxy)ethyl ester Formula: C25H19N3O4 MolecularWeight: 425.43606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCCOC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCCOC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H19N3O4/c26-16-18-10-12-20(13-11-18)31-14-15-32-25(30)23-21-8-4-5-9-22(21)24(29)28(27-23)17-19-6-2-1-3-7-19/h1-13H,14-15,17H2