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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H23N3O4/c1-14(2)13-25-21(27)18-7-5-4-6-17(18)19(24-25)20(26)23-12-15-8-10-16(11-9-15)22(28)29-3/h4-11,14H,12-13H2,1-3H3,(H,23,26)