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

Systemtic Name: methyl 4-methyl-3-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]benzoate Traditional Name: 3-[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]-4-methyl-benzoic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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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)CC(C)C

Isomeric SMILES

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

InChI

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