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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

InChI

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