ethyl 4-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]benzoate Traditional Name: 4-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]benzoic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

InChI

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