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

Systemtic Name: ethyl 4-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]benzoate Traditional Name: 4-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]benzoic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-3-13-24-20(26)17-8-6-5-7-16(17)18(23-24)19(25)22-15-11-9-14(10-12-15)21(27)28-4-2/h5-12H,3-4,13H2,1-2H3,(H,22,25)