methyl 4-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]benzoate Traditional Name: 4-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]benzoic acid methyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19N3O4/c1-3-12-23-19(25)16-7-5-4-6-15(16)17(22-23)18(24)21-14-10-8-13(9-11-14)20(26)27-2/h4-11H,3,12H2,1-2H3,(H,21,24)