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

Systemtic Name: ethyl 3-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]benzoate Openeye Name: ethyl 3-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]benzoate CAS Name: 3-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]benzoate Traditional Name: 3-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]benzoic acid ethyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C(=O)OCC

InChI

InChI=1S/C22H23N3O4/c1-3-5-13-25-21(27)18-12-7-6-11-17(18)19(24-25)20(26)23-16-10-8-9-15(14-16)22(28)29-4-2/h6-12,14H,3-5,13H2,1-2H3,(H,23,26)