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

Systemtic Name: 4-tert-butyl-N-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]benzamide Openeye Name: 4-tert-butyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide CAS Name: 4-tert-butyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide IUPAC Name: 4-tert-butyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide Traditional Name: 4-tert-butyl-N-[(4-keto-3H-phthalazin-1-yl)methyl]benzamide Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H21N3O2/c1-20(2,3)14-10-8-13(9-11-14)18(24)21-12-17-15-6-4-5-7-16(15)19(25)23-22-17/h4-11H,12H2,1-3H3,(H,21,24)(H,23,25)