N-tert-butyl-4-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]benzamide

Systemtic Name: N-tert-butyl-4-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]benzamide Openeye Name: N-tert-butyl-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide CAS Name: N-tert-butyl-4-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]benzamide IUPAC Name: N-tert-butyl-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide Traditional Name: N-tert-butyl-4-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H22N4O3/c1-21(2,3)23-19(27)13-8-10-14(11-9-13)22-18(26)12-17-15-6-4-5-7-16(15)20(28)25-24-17/h4-11H,12H2,1-3H3,(H,22,26)(H,23,27)(H,25,28)