3-(4-methoxyphenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]phthalazine-1-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]phthalazine-1-carboxamide Openeye Name: N-[2-(isopropylamino)-2-oxo-ethyl]-3-(4-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]phthalazine-1-carboxamide Traditional Name: N-[2-(isopropylamino)-2-keto-ethyl]-4-keto-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-13(2)23-18(26)12-22-20(27)19-16-6-4-5-7-17(16)21(28)25(24-19)14-8-10-15(29-3)11-9-14/h4-11,13H,12H2,1-3H3,(H,22,27)(H,23,26)