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

Systemtic Name: propyl 4-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]benzoate Traditional Name: 4-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]benzoic acid propyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-4-13-29-22(28)15-9-11-16(12-10-15)23-20(26)19-17-7-5-6-8-18(17)21(27)25(24-19)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,23,26)