[(E)-3-phenylprop-2-enyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [(E)-3-phenylprop-2-enyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [(E)-cinnamyl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [(E)-cinnamyl] ester Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC=CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H20N2O3/c28-24-22-16-8-7-15-21(22)23(26-27(24)18-20-12-5-2-6-13-20)25(29)30-17-9-14-19-10-3-1-4-11-19/h1-16H,17-18H2/b14-9+