ethyl 4-[(3-hexyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(3-hexyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(3-hexyl-4-oxo-phthalazine-1-carbonyl)amino]benzoate CAS Name: 4-[[(3-hexyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-hexyl-4-oxophthalazine-1-carbonyl)amino]benzoate Traditional Name: 4-[(3-hexyl-4-keto-phthalazine-1-carbonyl)amino]benzoic acid ethyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C24H27N3O4/c1-3-5-6-9-16-27-23(29)20-11-8-7-10-19(20)21(26-27)22(28)25-18-14-12-17(13-15-18)24(30)31-4-2/h7-8,10-15H,3-6,9,16H2,1-2H3,(H,25,28)