N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

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