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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O4/c1-13(2)12-24-20(26)17-7-5-4-6-16(17)18(23-24)19(25)22-15-10-8-14(9-11-15)21(27)28-3/h4-11,13H,12H2,1-3H3,(H,22,25)