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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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