tert-butyl N-[2-oxidanylidene-2-[[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]amino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-oxidanylidene-2-[[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]amino]ethyl]carbamate Openeye Name: tert-butyl N-[2-oxo-2-[3-(4-oxo-3H-phthalazin-1-yl)anilino]ethyl]carbamate CAS Name: N-[2-oxo-2-[3-(4-oxo-3H-phthalazin-1-yl)anilino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-oxo-2-[3-(4-oxo-3H-phthalazin-1-yl)anilino]ethyl]carbamate Traditional Name: N-[2-keto-2-[3-(4-keto-3H-phthalazin-1-yl)anilino]ethyl]carbamic acid tert-butyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32

InChI

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